Molecule

ID:109053

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆S
Molecular Mass
202.39984
Exact Mass
202.17552183
Charge
0
InChI
InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
InChIKey
WNAHIZMDSQCWRP-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCS
Isomeric Smiles
CCCCCCCCCCCCS
Calculated Properties
JChem
Acid pKa
10.200824
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
5.6132326
LogD (pH = 7.4)
5.6126037
Log P
5.6132407
Molar Refractivity
64.9715
Polarizability
25.942255
Polar Surface Area
0.0
Rotatable Bonds
10
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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