Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 117VLW7484
EPA CompTox DTXSID30199855

Structure

InChI Key CTSPAMFJBXKSOY-UHFFFAOYSA-N
Smiles Cc1c2[nH]c3c(cccc3)c2c(C)c2cnccc12
InChI
InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H14N2
Molecular Weight 246.12
AlogP 4.49
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 28.68
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 519-23-3
NORMAN SUSDAT
FDA SRS 117VLW7484
PubChem 3213
ChemSpider 3100.0