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

Structure

InChI Key POPOYOKQQAEISW-UHFFFAOYSA-N
Smiles Clc1ccc2C(=O)NSc2c1
InChI
InChI=1S/C7H4ClNOS/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4Cl1N1O1S1
Molecular Weight 184.97
AlogP 2.66
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 33.12
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 70-10-0
NORMAN SUSDAT