Molecule

ID:80167

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀S
Molecular Mass
196.3522
Exact Mass
196.12857164
Charge
0
InChI
InChI=1S/C12H20S/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11H,2-8H2,1H3
InChIKey
WQYWXQCOYRZFAV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCc1ccsc1
Isomeric Smiles
s1cc(CCCCCCCC)cc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.37909
LogD (pH = 7.4)
5.37909
Log P
5.37909
Molar Refractivity
60.412
Polarizability
23.641619
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
Molecule Details
References
Bioactivity
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