Molecule

ID:80205

General Information
Structure
Molecular Formula
C₁₄H₈Cl₂O₂S₂
Molecular Mass
343.24812
Exact Mass
341.93427686
Charge
0
InChI
InChI=1S/C14H8Cl2O2S2/c15-13(17)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(16)18/h1-8H
InChIKey
DSFZYLCRXIWFFW-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccccc1SSc1ccccc1C(=O)Cl
Isomeric Smiles
S(c1c(cccc1)C(=O)Cl)Sc1ccccc1C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.95557
LogD (pH = 7.4)
4.95557
Log P
4.95557
Molar Refractivity
84.6896
Polarizability
33.56225
Polar Surface Area
34.14
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
No Data Available
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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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