Molecule

ID:106800

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O
Molecular Mass
162.22826
Exact Mass
162.10446507
Charge
0
InChI
InChI=1S/C11H14O/c1-3-4-11(12)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3
InChIKey
CIYAESDXUTVTAL-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)c1ccc(cc1)C
Isomeric Smiles
CCCC(=O)c1ccc(C)cc1
Calculated Properties
JChem
Acid pKa
17.478031
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1894193
LogD (pH = 7.4)
3.1894193
Log P
3.1894193
Molar Refractivity
50.7299
Polarizability
19.531313
Polar Surface Area
17.07
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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