Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RS8UB0P64V
EPA CompTox DTXSID30199799

Structure

InChI Key HWVIWIDTBYWXGB-UHFFFAOYSA-N
Smiles CCc1c(N)ccc(Cc2ccc(N)cc2)c1
InChI
InChI=1S/C15H18N2/c1-2-13-10-12(5-8-15(13)17)9-11-3-6-14(16)7-4-11/h3-8,10H,2,9,16-17H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H18N2
Molecular Weight 226.15
AlogP 3.0
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 52.04
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 51839-50-0
NORMAN SUSDAT
FDA SRS RS8UB0P64V
PubChem 103989
ChemSpider 93885.0