Molecule

ID:109188

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆OS
Molecular Mass
218.39924
Exact Mass
218.17043645
Charge
0
InChI
InChI=1S/C12H26OS/c1-2-3-4-5-6-7-8-9-11-14-12-10-13/h13H,2-12H2,1H3
InChIKey
MWVYOMQTCFCPHY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCSCCO
Isomeric Smiles
CCCCCCCCCCSCCO
Calculated Properties
JChem
Acid pKa
15.547428
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.161325
LogD (pH = 7.4)
4.161325
Log P
4.161325
Molar Refractivity
66.916
Polarizability
26.527567
Polar Surface Area
20.23
Rotatable Bonds
11
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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