Molecule

ID:89202

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉Cl₂NO₃S₂
Molecular Mass
350.24076
Exact Mass
348.94009051
Charge
0
InChI
InChI=1S/C12H9Cl2NO3S2/c13-9-3-1-8(2-4-9)12(16)15-7-10-5-6-11(19-10)20(14,17)18/h1-6H,7H2,(H,15,16)
InChIKey
HWAXMFYECKQLDX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)NCc1ccc(s1)S(=O)(=O)Cl
Isomeric Smiles
s1c(ccc1S(=O)(=O)Cl)CNC(=O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
14.480753
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4012601
LogD (pH = 7.4)
3.4012604
Log P
3.4012604
Molar Refractivity
79.6945
Polarizability
31.371044
Polar Surface Area
63.24
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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