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

Structure

InChI Key QGRKONUHHGBHRB-UHFFFAOYSA-N
Smiles [S-]c1cccc(Cl)c1Cl
InChI
InChI=1S/C6H4Cl2S/c7-4-2-1-3-5(9)6(4)8/h1-3,9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4Cl2S1
Molecular Weight 177.94
AlogP 3.28
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 17231-95-7
NORMAN SUSDAT