Molecule

ID:82379

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₂O₃S₂
Molecular Mass
335.22612
Exact Mass
333.92919148
Charge
0
InChI
InChI=1S/C12H8Cl2O3S2/c1-7-10(6-18-11(7)12(14)15)19(16,17)9-4-2-8(13)3-5-9/h2-6H,1H3
InChIKey
JOAKJQHALCTWCT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)S(=O)(=O)c1csc(c1C)C(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1csc(c1C)C(=O)Cl)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.1493406
LogD (pH = 7.4)
4.1493406
Log P
4.1493406
Molar Refractivity
77.4408
Polarizability
30.603613
Polar Surface Area
51.21
Rotatable Bonds
3
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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