Molecule

ID:79242

General Information
Structure
MolImage
Molecular Formula
C₁₈H₈Cl₆O₆S
Molecular Mass
565.03552
Exact Mass
561.81727506
Charge
0
InChI
InChI=1S/C18H8Cl6O6S/c19-13(15(21)22)17(25)29-9-1-5-11(6-2-9)31(27,28)12-7-3-10(4-8-12)30-18(26)14(20)16(23)24/h1-8H
InChIKey
HXYPMMAPDRFFTM-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=C(Cl)Cl)Cl)Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OC(=O)C(=C(Cl)Cl)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)OC(=O)C(=C(Cl)Cl)Cl)c1ccc(cc1)OC(=O)C(=C(Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
6.4084163
LogD (pH = 7.4)
6.4084163
Log P
6.4084163
Molar Refractivity
141.5322
Polarizability
47.980213
Polar Surface Area
86.74
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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