Molecule

ID:80977

General Information
Structure
Molecular Formula
C₁₂H₁₈S
Molecular Mass
194.33632
Exact Mass
194.11292158
Charge
0
InChI
InChI=1S/C12H18S/c1-7-8(2)10(4)12(13-6)11(5)9(7)3/h1-6H3
InChIKey
DJMDIUMNWVMVCL-UHFFFAOYSA-N
Canonic Smiles
CSc1c(C)c(C)c(c(c1C)C)C
Isomeric Smiles
S(c1c(c(c(c(c1C)C)C)C)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.16857
LogD (pH = 7.4)
5.16857
Log P
5.16857
Molar Refractivity
64.0229
Polarizability
24.0812
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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