Molecule

ID:73802

General Information
Structure
Molecular Formula
C₁₁H₁₄
Molecular Mass
146.22886
Exact Mass
146.10955045
Charge
0
InChI
InChI=1S/C11H14/c1-9(2)8-11-7-5-4-6-10(11)3/h4-7H,1,8H2,2-3H3
InChIKey
JDFFFYNJWMYRJE-UHFFFAOYSA-N
Canonic Smiles
CC(=C)Cc1ccccc1C
Isomeric Smiles
C=C(C)Cc1c(cccc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8285992
LogD (pH = 7.4)
3.8285992
Log P
3.8285992
Molar Refractivity
49.6685
Polarizability
19.321196
Polar Surface Area
0.0
Rotatable Bonds
2
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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