Molecule

ID:127781

General Information
Structure
Molecular Formula
C₁₂H₁₈
Molecular Mass
162.27132
Exact Mass
162.14085058
Charge
0
InChI
InChI=1S/C12H18/c1-7-2-11-3-8(1)10-4-9(7)5-12(11)6-10/h7-12H,1-6H2
InChIKey
KZNNISMAUNEBPT-UHFFFAOYSA-N
Canonic Smiles
C1C2CC3CC1C1CC2CC3C1
Isomeric Smiles
C1C2CC3CC1C1CC2CC3C1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.998349
LogD (pH = 7.4)
2.998349
Log P
2.998349
Molar Refractivity
49.491
Polarizability
19.93744
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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
References
Bioactivity
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