Molecule

ID:86902

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O₂S
Molecular Mass
268.71936
Exact Mass
268.00732622
Charge
0
InChI
InChI=1S/C11H9ClN2O2S/c12-11-10(7-4-8-13-11)14-17(15,16)9-5-2-1-3-6-9/h1-8,14H
InChIKey
YWIHZYXECGNFTQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ncccc1NS(=O)(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(c1ccccc1)Nc1cccnc1Cl
Calculated Properties
JChem
Acid pKa
8.3778305
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0669508
LogD (pH = 7.4)
2.029186
Log P
2.0674605
Molar Refractivity
66.5994
Polarizability
26.268705
Polar Surface Area
59.06
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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