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

Structure

InChI Key LWWVMDRRHHCTMZ-UHFFFAOYSA-N
Smiles ClCC(=O)c1cc2CC(=O)Nc2cc1Cl
InChI
InChI=1S/C10H7Cl2NO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1,3H,2,4H2,(H,13,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H7Cl2N1O2
Molecular Weight 242.99
AlogP 2.26
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 46.17
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 118307-04-3
NORMAN SUSDAT