Molecule

ID:110439

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈
Molecular Mass
162.27132
Exact Mass
162.14085058
Charge
0
InChI
InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3
InChIKey
SPPWGCYEYAMHDT-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)C(C)C)C
Isomeric Smiles
CC(C)c1ccc(cc1)C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.463264
LogD (pH = 7.4)
4.463264
Log P
4.463264
Molar Refractivity
54.4396
Polarizability
21.309843
Polar Surface Area
0.0
Rotatable Bonds
2
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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