Molecule

ID:92976

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂S
Molecular Mass
233.28624
Exact Mass
233.0510496
Charge
0
InChI
InChI=1S/C12H11NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,13H2
InChIKey
JBCUKQQIWSWEOK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1S(=O)(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(c1ccccc1N)c1ccccc1
Calculated Properties
JChem
Acid pKa
17.844162
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0991306
LogD (pH = 7.4)
2.0991542
Log P
2.0991545
Molar Refractivity
64.2906
Polarizability
25.525314
Polar Surface Area
60.16
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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