Molecule

ID:82421

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂S₂
Molecular Mass
239.31396
Exact Mass
239.00747053
Charge
0
InChI
InChI=1S/C10H9NO2S2/c11-9-6-14-7-10(9)15(12,13)8-4-2-1-3-5-8/h1-7H,11H2
InChIKey
HYLCXPMYGZOANR-UHFFFAOYSA-N
Canonic Smiles
Nc1cscc1S(=O)(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(c1cscc1N)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8795965
LogD (pH = 7.4)
1.8795965
Log P
1.8795965
Molar Refractivity
61.3964
Polarizability
24.19243
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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