Molecule

ID:112717

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄
Molecular Mass
158.23956
Exact Mass
158.10955045
Charge
0
InChI
InChI=1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4H2,1H3
InChIKey
VBRLZTLFLNZEPZ-UHFFFAOYSA-N
Canonic Smiles
CCCCC#Cc1ccccc1
Isomeric Smiles
CCCCC#Cc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.294217
LogD (pH = 7.4)
4.294217
Log P
4.294217
Molar Refractivity
50.5341
Polarizability
20.35499
Polar Surface Area
0.0
Rotatable Bonds
4
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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