Molecule

ID:111625

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂O₂
Molecular Mass
234.33398
Exact Mass
234.16197994
Charge
0
InChI
InChI=1S/C15H22O2/c1-2-3-4-5-9-12-15(16)17-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3
InChIKey
MWQWCHLIPMDVLS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(=O)OCc1ccccc1
Isomeric Smiles
CCCCCCCC(=O)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.5704007
LogD (pH = 7.4)
4.5704007
Log P
4.5704007
Molar Refractivity
69.6573
Polarizability
27.673576
Polar Surface Area
26.3
Rotatable Bonds
9
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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