Molecule

ID:81383

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆Cl₄O₄S
Molecular Mass
376.03994
Exact Mass
373.87409039
Charge
0
InChI
InChI=1S/C11H6Cl4O4S/c12-6-2-1-3-7(13)10(6)19-20(16,17)9-5-4-8(18-9)11(14)15/h1-5,11H
InChIKey
HQTIRWAZGDFLSB-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1OS(=O)(=O)c1ccc(o1)C(Cl)Cl)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(o1)C(Cl)Cl)Oc1c(cccc1Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.803641
LogD (pH = 7.4)
4.803641
Log P
4.803641
Molar Refractivity
77.1152
Polarizability
31.2681
Polar Surface Area
56.51
Rotatable Bonds
4
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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