Molecule

ID:15991

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂S₂
Molecular Mass
220.35368
Exact Mass
220.03804238
Charge
0
InChI
InChI=1S/C12H12S2/c1-13-11-5-3-10-8-12(14-2)6-4-9(10)7-11/h3-8H,1-2H3
InChIKey
KRDUPYZJDYFJOC-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc2c(c1)ccc(c2)SC
Isomeric Smiles
c1c(cc2c(c1)cc(cc2)SC)SC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2191567
LogD (pH = 7.4)
4.2191567
Log P
4.2191567
Molar Refractivity
68.026
Polarizability
27.730045
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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