Molecule
ID:85205
General Information
Molecular Formula
C₁₂H₁₈
Molecular Mass
162.27132
Exact Mass
162.14085058
Charge
0
InChI
InChI=1S/C12H18/c1-2-12-10-4-8-3-9(6-10)7-11(12)5-8/h2,8-11H,3-7H2,1H3/b12-2-
InChIKey
DDSATBSDGAPDPM-OIXVIMQBSA-N
Canonic Smiles
C/C=C/1\C2CC3CC1CC(C2)C3
Isomeric Smiles
C/C=C/1\C2CC3CC1CC(C2)C3
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2140448
LogD (pH = 7.4)
3.2140448
Log P
3.2140448
Molar Refractivity
52.1956
Polarizability
20.445187
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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