Molecule

ID:69162

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂ClNO₂S
Molecular Mass
221.70438
Exact Mass
221.02772731
Charge
0
InChI
InChI=1S/C8H11NO2S.ClH/c1-9-7-3-5-8(6-4-7)12(2,10)11;/h3-6,9H,1-2H3;1H
InChIKey
JLMAKOFZASQMNU-UHFFFAOYSA-N
Canonic Smiles
CNc1ccc(cc1)S(=O)(=O)C.Cl
Isomeric Smiles
N(c1ccc(cc1)S(=O)(=O)C)C.Cl
Calculated Properties
JChem
Acid pKa
19.759912
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.28567243
LogD (pH = 7.4)
0.28632417
Log P
0.2863325
Molar Refractivity
50.2554
Polarizability
19.294449
Polar Surface Area
46.17
Rotatable Bonds
2
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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