Molecule

ID:30513

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂ClNO₂S
Molecular Mass
269.74718
Exact Mass
269.02772731
Charge
0
InChI
InChI=1S/C12H11NO2S.ClH/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11;/h1-9H,13H2;1H
InChIKey
XWJLQRFZPCHKLB-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)S(=O)(=O)c1ccccc1.Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(N)cc1)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0989902
LogD (pH = 7.4)
2.0991523
Log P
2.0991545
Molar Refractivity
64.2906
Polarizability
25.52305
Polar Surface Area
60.16
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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