Molecule

ID:55720

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClNO₂S
Molecular Mass
183.6564
Exact Mass
183.01207725
Charge
0
InChI
InChI=1S/C5H9NO2S.ClH/c1-6-3-9-2-4(6)5(7)8;/h4H,2-3H2,1H3,(H,7,8);1H
InChIKey
KRCOYPGXPMAKOU-UHFFFAOYSA-N
Canonic Smiles
CN1CSCC1C(=O)O.Cl
Isomeric Smiles
C1(N(CSC1)C)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
2.7981203
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7665187
LogD (pH = 7.4)
-2.8786116
Log P
-1.6886784
Molar Refractivity
36.1188
Polarizability
14.364186
Polar Surface Area
40.54
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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