NPs Basic Information

Name
Formic Acid
Molecular Formula CH2O2
IUPAC Name*
formic acid
SMILES
C(=O)O
InChI
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
InChIKey
BDAGIHXWWSANSR-UHFFFAOYSA-N
Synonyms
formic acid; Methanoic acid; 64-18-6; Formylic acid; Aminic acid; Bilorin; Hydrogen carboxylic acid; Formisoton; Myrmicyl; Formira; Collo-bueglatt; Collo-didax; Acide formique; Add-F; Ameisensaeure; C1 acid; RCRA waste number U123; Formic acid (natural); Mierenzuur [Dutch]; Mierenzuur; Formicum acidum; Kwas metaniowy; Acido formico; Ameisensaeure [German]; Kyselina mravenci; Acide formique [French]; Acido formico [Italian]; FEMA No. 2487; Kwas metaniowy [Polish]; Kyselina mravenci [Czech]; HCOOH; Ameisensaure; CCRIS 6039; Sybest; EPA Pesticide Chemical Code 214900; AI3-24237; RCRA waste no. U123; UN1779; Formic acid, dimer; Methanoic acid monomer; HCO2H; MFCD00003297; Wonderbond Hardener M 600L; 0YIW783RG1; CHEBI:30751; aminate; formylate; methanoate; Formic acid [UN1779] [Corrosive]; Formic Acid, 88%; 0.1% FA in Water; hydrogen carboxylate; 0.1% FA in water,; 0.1% FA in ACN; 0.1% FA in ACN,; 0.1% Formic Acid in Water (v/v); Cal-Ex™ II Fixative/Decalcifier; 14523-98-9; 0.1% Formic Acid in Acetonitrile (v/v); HSDB 1646; EINECS 200-579-1; UNII-0YIW783RG1; Amasil; forrnic acid; methoic acid; Formic acid, natural; H-COOH; Formic Acid, ACS Grade; FORMIC ACID [MI]; bmse000203; FORMIC ACID [FCC]; EC 200-579-1; Formic acid, 95-97%; FORMIC ACID [FHFI]; FORMIC ACID [HSDB]; FORMIC ACID [INCI]; Formic acid, LC/MS Grade; FORMIC ACID [VANDF]; FORMIC ACID [MART.]; Formic acid, p.a., 85%; FORMIC ACID [USP-RS]; FORMIC ACID [WHO-DD]; Formic Acid (Fragrance Grade); Formic acid, AR, >=90%; Formic acid, AR, >=98%; Formic acid, LR, >=85%; Formic acid, LR, >=98%; FORMICUM ACIDUM [HPUS]; CHEMBL116736; Formic acid, purum, >=85%; Formic Acid (Industrial Grade); DTXSID2024115; CHEBI:36036; CHEBI:191874; FORMIC ACID [EP MONOGRAPH]; AMY11055; BCP23013; Formic Acid Ampoules (LCMS Grade); Formic acid, >=95%, FCC, FG; Formic acid, technical grade, 85%; Formic Acid 88% Reagent Grade ACS; Formic acid, ACS reagent, >=96%; STL264243; Formic acid, reagent grade, >=95%; VARROMED COMPONENT FORMIC ACID; AKOS000269044; Formic acid, ACS reagent, 88-91%; Water with 0.1% Formic Acid (v/v); CCG-266004; DB01942; UN 1779; Formic acid, ACS reagent, >=96.0%; FORMIC ACID COMPONENT OF VARROMED; NCGC00248718-01; BP-21436; E236; FORMIC ACID [EMA EPAR VETERINARY]; DB-029851; C20:3; F0513; F0654; Formic acid 1000 microg/mL in Acetonitrile; Formic acid, JIS special grade, >=98.0%; Formic acid, Vetec(TM) reagent grade, 95%; FT-0626533; FT-0626535; FT-0626537; FT-0668804; C00058; Formic acid, SAJ first grade, 88.0-89.5%; A834666; Q161233; Formic acid, p.a., ACS reagent, 98.0-100.0%; J-521387; Q27110013; F1908-0082; Formate standard for IC, 1.000 g/L in H2O, analytical standard; Formic acid, puriss. p.a., ACS reagent, reag. Ph. Eur., >=98%; Formic acid, United States Pharmacopeia (USP) Reference Standard; Formic acid, puriss., meets analytical specifications of DAC, FCC, 98.0-100%; 82069-14-5
CAS 64-18-6
PubChem CID 284
ChEMBL ID CHEMBL116736
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification:
  • Kingdom: Organic compounds
    • Superclass: Organic acids and derivat
      • Class: Carboxylic acids and deri
        • Subclass: Carboxylic acids
          • Direct Parent: Carboxylic acids

ClassyFire Version 1.0
PMID:27867422

NPs Species Source

Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference
Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference

NPs Content

*Note: The vaules in Content Percentage are calculated by dividing the content value by the maximum content value in NP Content.
**Note: The units with different NP content, due to their incomparable values, are separated into different tables.

NPs Biological Activity

Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name
Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name

NPs Physi-Chem Properties

Molecular Weight: 46.025 ALogp: -0.2
HBD: 1 HBA: 2
Rotatable Bonds: 0 Lipinski's rule of five: Accepted
Polar Surface Area: 37.3 Aromatic Rings: 0
Heavy Atoms: 3 QED Weighted: 0.393

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -5.868 MDCK Permeability: 0.00707798
Pgp-inhibitor: 0 Pgp-substrate: 0.029
Human Intestinal Absorption (HIA): 0.014 20% Bioavailability (F20%): 0.006
30% Bioavailability (F30%): 0.323

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.96 Plasma Protein Binding (PPB): 10.85%
Volume Distribution (VD): 0.443 Fu: 87.13%

ADMET: Metabolism

CYP1A2-inhibitor: 0.018 CYP1A2-substrate: 0.102
CYP2C19-inhibitor: 0.03 CYP2C19-substrate: 0.061
CYP2C9-inhibitor: 0.009 CYP2C9-substrate: 0.332
CYP2D6-inhibitor: 0.049 CYP2D6-substrate: 0.175
CYP3A4-inhibitor: 0.009 CYP3A4-substrate: 0.029

ADMET: Excretion

Clearance (CL): 3.455 Half-life (T1/2): 0.854

ADMET: Toxicity

hERG Blockers: 0.022 Human Hepatotoxicity (H-HT): 0.096
Drug-inuced Liver Injury (DILI): 0.278 AMES Toxicity: 0.004
Rat Oral Acute Toxicity: 0.021 Maximum Recommended Daily Dose: 0.019
Skin Sensitization: 0.231 Carcinogencity: 0.323
Eye Corrosion: 0.281 Eye Irritation: 0.624
Respiratory Toxicity: 0.138
*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.

Similar Compounds*

Compounds similar to EMNPD with top10 similarity:

Similar NPs Similar Drugs
NPs ID NPs 2D Structure Similarity Score TTD ID Drug 2D Structure Similarity Score
ENC000135 0.214 D0MA7C 0.200
ENC000148 0.214 D04CRL 0.167
ENC000009 0.167 D02FLB 0.154
ENC001629 0.167 D01BQK 0.133
ENC000524 0.158 D0R9BG 0.133
ENC000879 0.150 D09UXE 0.133
ENC000166 0.148 D08OKJ 0.133
ENC002238 0.148 D07CWD 0.133
ENC001019 0.148 D0M8AB 0.133
ENC000005 0.148 D0A5FM 0.125
*Note: the compound similarity was calculated by RDKIT.