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

Structure

InChI Key WRRCZYDOIRAQEN-UHFFFAOYSA-N
Smiles CN(C)C(=O)NC1CC2CC1CC2Cl
InChI
InChI=1S/C10H17ClN2O/c1-13(2)10(14)12-9-5-6-3-7(9)4-8(6)11/h6-9H,3-5H2,1-2H3,(H,12,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H17Cl1N2O1
Molecular Weight 216.1
AlogP 1.87
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 35.83
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 1319-96-6
NORMAN SUSDAT