Structure

InChI Key IFQSXNOEEPCSLW-DKWTVANSSA-N
Smiles Cl.N[C@@H](CS)C(=O)O
InChI
InChI=1S/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H/t2-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8ClNO2S
Molecular Weight 157.62
AlogP -0.67
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 63.32
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 7.0

Cross References

Resources Reference
ChEBI 91247
ChEMBL CHEMBL1200630
FDA SRS A9U1687S1S
Guide to Pharmacology 4782
KEGG C00097
PDB CYS
PubChem 23462
SureChEMBL SCHEMBL18161
ZINC ZINC00895042