Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VH4C8S8GGW
EPA CompTox DTXSID7066809

Structure

InChI Key DLRPOOIAFCOLII-UHFFFAOYSA-N
Smiles CCN(CCCl)c1cc(C)ccc1
InChI
InChI=1S/C11H16ClN/c1-3-13(8-7-12)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H16Cl1N1
Molecular Weight 197.1
AlogP 3.06
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 3.24
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 22564-43-8
NORMAN SUSDAT
FDA SRS VH4C8S8GGW
PubChem 89754
ChemSpider 80459.0