Molecule

ID:76184

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClNO₂S
Molecular Mass
247.74166
Exact Mass
247.04337737
Charge
0
InChI
InChI=1S/C10H13NO2S.ClH/c12-14(13,10-6-7-11-8-10)9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2;1H
InChIKey
MUMXFWPSGKJXFA-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(c1ccccc1)C1CNCC1.Cl
Isomeric Smiles
N1CCC(C1)S(=O)(=O)c1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
19.336721
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.376668
LogD (pH = 7.4)
-0.9766696
Log P
0.70173126
Molar Refractivity
54.9798
Polarizability
22.62782
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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