Molecule

ID:87179

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₂O₄S₄
Molecular Mass
415.35552
Exact Mass
413.8682481
Charge
0
InChI
InChI=1S/C12H8Cl2O4S4/c13-21(15,16)11-5-1-9(2-6-11)19-20-10-3-7-12(8-4-10)22(14,17)18/h1-8H
InChIKey
VUKZJNCBRXLCAA-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(cc1)SSc1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
S(c1ccc(cc1)S(=O)(=O)Cl)Sc1ccc(cc1)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.466351
LogD (pH = 7.4)
4.466351
Log P
4.466351
Molar Refractivity
90.8486
Polarizability
38.214943
Polar Surface Area
68.28
Rotatable Bonds
5
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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