Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CV8118UZEW
EPA CompTox DTXSID0060642

Structure

InChI Key SILNNFMWIMZVEQ-UHFFFAOYSA-N
Smiles O=c1[nH]c2ccccc2[nH]1
InChI
InChI=1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6N2O1
Molecular Weight 134.05
AlogP 1.27
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 48.91
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 615-16-7
NORMAN SUSDAT
FDA SRS CV8118UZEW
PubChem 11985
ChemSpider 11490.0