Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10235043

Structure

InChI Key OYYYOYUUAGTANC-UHFFFAOYSA-N
Smiles O=C1SC2=CC=C(Cl)C=C2N1CC(=O)OCC
InChI
InChI=1/C11H10ClNO3S/c1-2-16-10(14)6-13-8-5-7(12)3-4-9(8)17-11(13)15/h3-5H,2,6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H10ClNO3S
Molecular Weight 271.01
AlogP 2.28
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 48.3
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 85750-08-9
NORMAN SUSDAT
PubChem 14221219