Molecule

ID:7877

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀S₂
Molecular Mass
218.3378
Exact Mass
218.02239232
Charge
0
InChI
InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
InChIKey
GUUVPOWQJOLRAS-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)SSc1ccccc1
Isomeric Smiles
S(Sc1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.573745
LogD (pH = 7.4)
4.573745
Log P
4.573745
Molar Refractivity
62.4602
Polarizability
26.08982
Polar Surface Area
0.0
Rotatable Bonds
3
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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