Molecule

ID:10360

General Information
Structure
MolImage
Molecular Formula
C₁₃H₆Cl₂O₅S₂
Molecular Mass
377.21974
Exact Mass
375.90337065
Charge
0
InChI
InChI=1S/C13H6Cl2O5S2/c14-21(17,18)7-1-3-9-10-4-2-8(22(15,19)20)6-12(10)13(16)11(9)5-7/h1-6H
InChIKey
ZQLFXNQIQZAHMI-UHFFFAOYSA-N
Canonic Smiles
O=C1c2cc(ccc2c2c1cc(cc2)S(=O)(=O)Cl)S(=O)(=O)Cl
Isomeric Smiles
c12c(cc(cc1)S(=O)(=O)Cl)C(=O)c1c2ccc(c1)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.9991844
LogD (pH = 7.4)
2.9991844
Log P
2.9991844
Molar Refractivity
84.1001
Polarizability
34.765118
Polar Surface Area
85.35
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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