Molecule

ID:59925

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O₄S₂
Molecular Mass
332.78316
Exact Mass
331.96922646
Charge
0
InChI
InChI=1S/C11H9ClN2O4S2/c12-7-1-3-9(4-2-7)20(17,18)14-11-13-8(6-19-11)5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16)
InChIKey
VYKNVTMKXLMFLJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1csc(n1)NS(=O)(=O)c1ccc(cc1)Cl
Isomeric Smiles
S(=O)(=O)(Nc1nc(CC(=O)O)cs1)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
3.1949253
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.12730901
LogD (pH = 7.4)
-1.5776892
Log P
2.4315972
Molar Refractivity
73.3123
Polarizability
29.289043
Polar Surface Area
96.36
Rotatable Bonds
4
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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