Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2WOM9XQ1W1
EPA CompTox DTXSID30201043

Structure

InChI Key QJPFZQCEUDMYTG-UHFFFAOYSA-N
Smiles Cc1cc2cc3c4ccccc4ccc3nc2c(C)c1
InChI
InChI=1S/C19H15N/c1-12-9-13(2)19-15(10-12)11-17-16-6-4-3-5-14(16)7-8-18(17)20-19/h3-11H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H15N1
Molecular Weight 257.12
AlogP 5.16
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 53-69-0
NORMAN SUSDAT
FDA SRS 2WOM9XQ1W1
PubChem 66127
ChemSpider 59515.0