Molecule

ID:109600

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄S₂
Molecular Mass
246.39096
Exact Mass
246.05369245
Charge
0
InChI
InChI=1S/C14H14S2/c1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
TZOVOULUMXXLOJ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)SSc1ccc(cc1)C
Isomeric Smiles
Cc1ccc(SSc2ccc(C)cc2)cc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.600588
LogD (pH = 7.4)
5.600588
Log P
5.600588
Molar Refractivity
72.5426
Polarizability
29.619427
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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