Molecule

ID:104333

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀Cl₂O₄S₂
Molecular Mass
365.2521
Exact Mass
363.93975616
Charge
0
InChI
InChI=1S/C13H10Cl2O4S2/c14-20(16,17)12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)21(15,18)19/h1-8H,9H2
InChIKey
YKMMQCFZCFAHOU-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc(cc1)Cc1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
ClS(=O)(=O)c1ccc(Cc2ccc(cc2)S(=O)(=O)Cl)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.957646
LogD (pH = 7.4)
3.957646
Log P
3.957646
Molar Refractivity
84.1836
Polarizability
33.848705
Polar Surface Area
68.28
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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