Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40176298

Structure

InChI Key HLEGMLHPZDVLQL-UHFFFAOYSA-N
Smiles CS(=O)(=O)NCCCl
InChI
InChI=1S/C3H8ClNO2S/c1-8(6,7)5-3-2-4/h5H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8Cl1N1O2S1
Molecular Weight 157.0
AlogP -0.23
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 46.17
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 21896-59-3
NORMAN SUSDAT
PubChem 89092
ChemSpider 80390.0