Molecule

ID:24559

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClNO₂S
Molecular Mass
171.6457
Exact Mass
171.01207725
Charge
0
InChI
InChI=1S/C4H9NO2S.ClH/c5-4-1-2-8(6,7)3-4;/h4H,1-3,5H2;1H
InChIKey
MGZQMSFXPSKBDY-UHFFFAOYSA-N
Canonic Smiles
NC1CCS(=O)(=O)C1.Cl
Isomeric Smiles
C1C(CS(=O)(=O)C1)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.5888615
LogD (pH = 7.4)
-3.0244439
Log P
-1.8453753
Molar Refractivity
30.4698
Polarizability
13.122564
Polar Surface Area
60.16
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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