Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LH9UN2C8ES
EPA CompTox DTXSID50195475

Structure

InChI Key KMJHZCLHURUEKI-UHFFFAOYSA-N
Smiles N#CN1c2c(cccc2)C=Cc2c1cccc2
InChI
InChI=1S/C15H10N2/c16-11-17-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)17/h1-10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10N2
Molecular Weight 218.08
AlogP 3.79
Hydrogen Bond Acceptor 2.0
Polar Surface Area 27.03
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 42787-75-7
NORMAN SUSDAT
FDA SRS LH9UN2C8ES
PubChem 612759
ChemSpider 532663.0