Molecule

ID:121584

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClNO₃S
Molecular Mass
187.6451
Exact Mass
187.00699187
Charge
0
InChI
InChI=1S/C4H9NO3S.ClH/c5-3-1-9(7,8)2-4(3)6;/h3-4,6H,1-2,5H2;1H/t3-,4+;/m0./s1
InChIKey
JJDFZARHVQFOCH-RFKZQXLXSA-N
Canonic Smiles
O[C@@H]1CS(=O)(=O)C[C@@H]1N.Cl
Isomeric Smiles
S1(=O)(=O)C[C@@H]([C@@H](C1)O)N.Cl
Calculated Properties
JChem
Acid pKa
13.727935
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.9736257
LogD (pH = 7.4)
-3.2827282
Log P
-2.53567
Molar Refractivity
31.1533
Polarizability
13.809558
Polar Surface Area
80.39
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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