Molecule

ID:86910

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀
Molecular Mass
188.3086
Exact Mass
188.15650064
Charge
0
InChI
InChI=1S/C14H20/c1-13(2)9-10-14(3,4)12-8-6-5-7-11(12)13/h5-8H,9-10H2,1-4H3
InChIKey
CCQKWSZYTOCEIB-UHFFFAOYSA-N
Canonic Smiles
CC1(C)CCC(c2c1cccc2)(C)C
Isomeric Smiles
CC1(c2ccccc2C(C)(CC1)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5996323
LogD (pH = 7.4)
4.5996323
Log P
4.5996323
Molar Refractivity
61.5876
Polarizability
24.254223
Polar Surface Area
0.0
Rotatable Bonds
0
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
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References
Bioactivity
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