Molecule

ID:70251

General Information
Structure
MolImage
Molecular Formula
C₃H₈ClNO₂S
Molecular Mass
157.61912
Exact Mass
156.99642718
Charge
0
InChI
InChI=1S/C3H7NO2S.ClH/c4-2(1-7)3(5)6;/h2,7H,1,4H2,(H,5,6);1H/t2-;/m0./s1
InChIKey
IFQSXNOEEPCSLW-DKWTVANSSA-N
Canonic Smiles
N[C@H](C(=O)O)CS.Cl
Isomeric Smiles
C(=O)([C@@H](N)CS)O.Cl
Calculated Properties
JChem
Acid pKa
2.3459952
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-2.7920592
LogD (pH = 7.4)
-2.8006835
Log P
-2.7921333
Molar Refractivity
28.2236
Polarizability
11.415023
Polar Surface Area
63.32
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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