Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6770O3A2I5
EPA CompTox DTXSID2051716

Structure

InChI Key UBQKCCHYAOITMY-UHFFFAOYSA-N
Smiles O=c1[nH]cccc1
InChI
InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5N1O1
Molecular Weight 95.04
AlogP 0.79
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 33.12
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 142-08-5
NORMAN SUSDAT
FDA SRS 6770O3A2I5
PubChem 8871
ChemSpider 8537.0