Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S0KXB0NKWN

Structure

InChI Key KJRKCWPQTXNNOM-UHFFFAOYSA-N
Smiles Clc1ccc2n3C(=O)CCC4NCCc(c2c1)c34
InChI
InChI=1S/C14H13ClN2O/c15-8-1-3-12-10(7-8)9-5-6-16-11-2-4-13(18)17(12)14(9)11/h1,3,7,11,16H,2,4-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H13Cl1N2O1
Molecular Weight 260.07
AlogP 2.92
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 34.03
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 65285-58-7
NORMAN SUSDAT
FDA SRS S0KXB0NKWN