ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL295026
CHEMBL295026
Compound Name FORMIC ACID METHYL ESTER
ChEMBL Synonyms Formic Acid Methyl Ester
Max Phase 0
Trade Names
Molecular Formula C2H4O2

Additional synonyms for CHEMBL295026 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC=O
Standard InChI InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3
Standard InChI Key TZIHFWKZFHZASV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL295026

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
60.1 60.0211 -0.21 1 26.3 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.13 -.13 0 4 0.39

Structural Alerts

There are 4 structural alerts for CHEMBL295026. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:TZIHFWKZFHZASV-UHFFFAOYSA-N
PubChem SID: 144211279
Wikipedia Methyl_formate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL295026



ACToR 107-31-3
Brenda 89997
ChEBI 77699
ChemicalBook CB9106448
eMolecules 476349
EPA CompTox Dashboard DTXSID5025609
FDA SRS 1MPH591FTG
Mcule MCULE-9122749354
MolPort MolPort-003-925-521
Nikkaji J4.064I
NMRShiftDB 10016813
PubChem 7865
PubChem: Thomson Pharma 15090769
Rhea 77699
SureChEMBL SCHEMBL650
ZINC ZINC000006661292

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