Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7HY4BCJ130
EPA CompTox DTXSID0051782

Structure

InChI Key GGOZGYRTNQBSSA-UHFFFAOYSA-N
Smiles Oc1ccc[nH]c1=O
InChI
InChI=1S/C5H5NO2/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5N1O2
Molecular Weight 111.03
AlogP 0.49
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 53.35
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 16867-04-2
NORMAN SUSDAT
FDA SRS 7HY4BCJ130
PubChem 28115
ChemSpider 26153.0