Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 98OVL5K3R4
EPA CompTox DTXSID8060379

Structure

InChI Key SVNCRRZKBNSMIV-UHFFFAOYSA-N
Smiles C1=CC=C2C(=C1)C=C(C=N2)N
InChI
InChI=1S/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8N2
Molecular Weight 144.07
AlogP 1.82
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 38.91
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 580-17-6
NORMAN SUSDAT
FDA SRS 98OVL5K3R4
PubChem 11375
ChemSpider 9570.0