Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID3070254

Structure

InChI Key QJVZEZUKVBECII-UHFFFAOYSA-N
Smiles CCN(Cc1c(Cl)cccc1)c1cc(C)ccc1
InChI
InChI=1S/C16H18ClN/c1-3-18(15-9-6-7-13(2)11-15)12-14-8-4-5-10-16(14)17/h4-11H,3,12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H18Cl1N1
Molecular Weight 259.11
AlogP 4.67
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 3.24
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 65151-24-8
NORMAN SUSDAT
PubChem 174087
ChemSpider 151893.0