Molecule

ID:79431

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂O
Molecular Mass
218.33458
Exact Mass
218.16706532
Charge
0
InChI
InChI=1S/C15H22O/c1-3-4-5-6-7-8-14-9-11-15(12-10-14)13(2)16/h9-12H,3-8H2,1-2H3
InChIKey
UQBRZOXCKKBKDU-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCc1ccc(cc1)C(=O)C
Isomeric Smiles
O=C(c1ccc(cc1)CCCCCCC)C
Calculated Properties
JChem
Acid pKa
16.22407
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.7117267
LogD (pH = 7.4)
4.7117267
Log P
4.7117267
Molar Refractivity
69.108
Polarizability
26.91657
Polar Surface Area
17.07
Rotatable Bonds
7
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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