Molecule

ID:108463

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆
Molecular Mass
160.25544
Exact Mass
160.12520051
Charge
0
InChI
InChI=1S/C12H16/c1-7-3-4-10-9-5-8(2)11(6-9)12(7)10/h3,5,9-12H,4,6H2,1-2H3
InChIKey
NUAKIPFPYYHNLG-UHFFFAOYSA-N
Canonic Smiles
CC1=CCC2C1C1CC2C=C1C
Isomeric Smiles
CC1=CCC2C3CC(C12)C(=C3)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6509159
LogD (pH = 7.4)
2.6509159
Log P
2.6509159
Molar Refractivity
52.9932
Polarizability
20.213806
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
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Related Proteins
No Data Available
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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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