Molecule

ID:69849

General Information
Structure
Molecular Formula
C₁₂H₁₄
Molecular Mass
158.23956
Exact Mass
158.10955045
Charge
0
InChI
InChI=1S/C12H14/c1-3-5-6-12-9-7-11(4-2)8-10-12/h2,7-10H,3,5-6H2,1H3
InChIKey
ZVWWYEHVIRMJIE-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)C#C
Isomeric Smiles
C(#C)c1ccc(cc1)CCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9712086
LogD (pH = 7.4)
3.9712086
Log P
3.9712086
Molar Refractivity
50.0745
Polarizability
20.27107
Polar Surface Area
0.0
Rotatable Bonds
3
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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