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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL116736
CHEMBL116736
Compound Name FORMIC ACID
ChEMBL Synonyms E236
Max Phase 0
Trade Names
Molecular Formula CH2O2

Additional synonyms for CHEMBL116736 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC=O
Standard InChI InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
Standard InChI Key BDAGIHXWWSANSR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL116736

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
46 46.0055 -0.3 0 37.3 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.74 - -.54 -3.94 0 3 0.38

Structural Alerts

There are 3 structural alerts for CHEMBL116736. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BDAGIHXWWSANSR-UHFFFAOYSA-N
Wikipedia Formic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL116736



ACToR 82069-14-5 64-18-6
Brenda 30064 4010 120 57514 44214
ChEBI 30751
ChemicalBook CB4854063
DrugBank DB01942
eMolecules 476327
EPA CompTox Dashboard DTXSID2024115
FDA SRS 0YIW783RG1
Human Metabolome Database HMDB0000142
KEGG Ligand C00058
Mcule MCULE-7175589186
Metabolights MTBLC30751
MolPort MolPort-000-871-952
Nikkaji J1.402H
NMRShiftDB 19790
PDBe FMT
PharmGKB PA449705
PubChem 284 18971002
PubChem: Thomson Pharma 15296845
SureChEMBL SCHEMBL78

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/BDAGIHXWWSANSR-UHFFFAOYSA-N spacer
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