Molecule

ID:127684

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈
Molecular Mass
162.27132
Exact Mass
162.14085058
Charge
0
InChI
InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3
InChIKey
YUWFEBAXEOLKSG-UHFFFAOYSA-N
Canonic Smiles
Cc1c(C)c(C)c(c(c1C)C)C
Isomeric Smiles
c1(c(c(c(c(c1C)C)C)C)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
5.05
LogD (pH = 5.5)
5.05
Log P
5.05
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
false
Polar Surface Area
0.00
Polarizability
21.03
Molar Refractivity
56.31
LOG S
-4.50
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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