Molecule

ID:73805

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆
Molecular Mass
160.25544
Exact Mass
160.12520051
Charge
0
InChI
InChI=1S/C12H16/c1-10(2)8-9-12-7-5-4-6-11(12)3/h4-7H,1,8-9H2,2-3H3
InChIKey
SOASYFLYKZHCCT-UHFFFAOYSA-N
Canonic Smiles
CC(=C)CCc1ccccc1C
Isomeric Smiles
C=C(C)CCc1ccccc1C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.273168
LogD (pH = 7.4)
4.273168
Log P
4.273168
Molar Refractivity
54.2695
Polarizability
21.085932
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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