Molecule

ID:79960

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈Cl₂O₄S₂
Molecular Mass
363.23622
Exact Mass
361.9241061
Charge
0
InChI
InChI=1S/C13H8Cl2O4S2/c14-20(16,17)10-1-3-12-8(6-10)5-9-7-11(21(15,18)19)2-4-13(9)12/h1-4,6-7H,5H2
InChIKey
WILHVYLMKZJHOL-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc2c(c1)Cc1c2ccc(c1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc2c(c1)Cc1c2ccc(c1)S(=O)(=O)Cl)Cl
Calculated Properties
JChem
Acid pKa
14.221816
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.6316254
LogD (pH = 7.4)
3.6316254
Log P
3.6316254
Molar Refractivity
83.2618
Polarizability
34.41699
Polar Surface Area
68.28
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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