Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2LRK86H722
EPA CompTox DTXSID40210707

Structure

InChI Key YXDXXGXWFJCXEB-UHFFFAOYSA-N
Smiles N#Cc1ccco1
InChI
InChI=1S/C5H3NO/c6-4-5-2-1-3-7-5/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H3N1O1
Molecular Weight 93.02
AlogP 1.15
Hydrogen Bond Acceptor 2.0
Polar Surface Area 36.93
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 617-90-3
NORMAN SUSDAT
FDA SRS 2LRK86H722
PubChem 69245
ChemSpider 62458.0