Molecule

ID:51240

General Information
Structure
MolImage
Molecular Formula
C₄H₁₂ClNO₂S
Molecular Mass
173.66158
Exact Mass
173.02772731
Charge
0
InChI
InChI=1S/C4H11NO2S.ClH/c1-8(6,7)4-2-3-5;/h2-5H2,1H3;1H
InChIKey
VJABSSGXEWXCLY-UHFFFAOYSA-N
Canonic Smiles
[NH3+]CCCS(=O)(=O)C.[Cl-]
Isomeric Smiles
S(=O)(=O)(CCC[NH3+])C.[Cl-]
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.859723
LogD (pH = 7.4)
-3.822757
Log P
-1.8858066
Molar Refractivity
44.558
Polarizability
13.783348
Polar Surface Area
61.78
Rotatable Bonds
3
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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