Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5T83GY5877
EPA CompTox DTXSID10206819

Structure

InChI Key GHCKERHPOQWERJ-UHFFFAOYSA-N
Smiles Nc1cc2nc3c(cccc3)cc2cc1
InChI
InChI=1S/C13H10N2/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11/h1-8H,14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H10N2
Molecular Weight 194.08
AlogP 2.97
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 38.91
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 581-29-3
NORMAN SUSDAT
FDA SRS 5T83GY5877
PubChem 11385
ChemSpider 10907.0