Molecule

ID:76326

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₂S
Molecular Mass
261.76824
Exact Mass
261.05902744
Charge
0
InChI
InChI=1S/C11H15NO2S.ClH/c13-15(14,10-4-2-1-3-5-10)11-6-8-12-9-7-11;/h1-5,11-12H,6-9H2;1H
InChIKey
VHOOEJWBCPRXNM-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(c1ccccc1)C1CCNCC1.Cl
Isomeric Smiles
N1CCC(CC1)S(=O)(=O)c1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
19.97293
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3260372
LogD (pH = 7.4)
-0.9457172
Log P
0.761691
Molar Refractivity
60.052
Polarizability
24.467733
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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