Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 142FG4G74X
EPA CompTox DTXSID3020469

Structure

InChI Key CXSJGNHRBWJXEA-UHFFFAOYSA-N
Smiles O=C1C=2C=CC=CC2CN3C(=O)C=4C=CC=CC4CN13
InChI
InChI=1/C16H12N2O2/c19-15-13-7-3-1-5-11(13)9-17-16(20)14-8-4-2-6-12(14)10-18(15)17/h1-8H,9-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H12N2O2
Molecular Weight 264.09
AlogP 2.21
Hydrogen Bond Acceptor 2.0
Polar Surface Area 40.62
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 21626-89-1
NORMAN SUSDAT
FDA SRS 142FG4G74X
PubChem 30717