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

Structure

InChI Key GSJXJZOWHSTWOX-UHFFFAOYSA-N
Smiles Clc1ccc(CN2CCNCC2)cc1
InChI
InChI=1S/C11H15ClN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15Cl1N2
Molecular Weight 210.09
AlogP 1.75
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 15.27
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 23145-88-2
NORMAN SUSDAT