ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL65369
CHEMBL65369
Compound Name 3-HYDROXYBENZOIC ACID
ChEMBL Synonyms 3-Hydroxybenzoic Acid
Max Phase 0
Trade Names
Molecular Formula C7H6O3

Additional synonyms for CHEMBL65369 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1cccc(O)c1
Standard InChI InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
Standard InChI Key IJFXRHURBJZNAO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL65369

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
138.1 138.0317 1.09 1 57.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.08 - 1.23 -1.74 1 10 0.61

Structural Alerts

There are no structural alerts for CHEMBL65369

Compound Cross References

ChemSpider ChemSpider:IJFXRHURBJZNAO-UHFFFAOYSA-N
PubChem SID: 144207725
Wikipedia 3-Hydroxybenzoic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL65369



ACToR 99-06-9 10476-50-3
BindingDB 50336491
Brenda 1002 13194 3970 43303
ChEBI 30764
ChemicalBook CB4854760
eMolecules 519605
EPA CompTox Dashboard DTXSID6021610
FDA SRS 2ZFW40OJ7U
Human Metabolome Database HMDB0002466
IBM Patent System 501FE6EDC36A1BA2C3660BA16E08B7D6
KEGG Ligand C00587
Mcule MCULE-3607182166
Metabolights MTBLC30764
MolPort MolPort-000-004-309
Nikkaji J43.202D
NMRShiftDB 10024829
PDBe 3HB
PubChem 7420
PubChem: Thomson Pharma 15219055
SureChEMBL SCHEMBL40078
ZINC ZINC000000388754

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