Molecule

ID:107507

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆S₂
Molecular Mass
234.46484
Exact Mass
234.14759283
Charge
0
InChI
InChI=1S/C12H26S2/c1-7-11(5,8-2)13-14-12(6,9-3)10-4/h7-10H2,1-6H3
InChIKey
TXQFWCYFQDWNSY-UHFFFAOYSA-N
Canonic Smiles
CCC(SSC(CC)(CC)C)(CC)C
Isomeric Smiles
CCC(C)(CC)SSC(C)(CC)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.393319
LogD (pH = 7.4)
5.393319
Log P
5.393319
Molar Refractivity
72.6876
Polarizability
29.042034
Polar Surface Area
0.0
Rotatable Bonds
7
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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