Molecule

ID:74348

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂O₂
Molecular Mass
234.33398
Exact Mass
234.16197994
Charge
0
InChI
InChI=1S/C15H22O2/c16-15(17)13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2,(H,16,17)
InChIKey
URWLWLXGACJYCO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCc1ccccc1
Isomeric Smiles
OC(=O)CCCCCCCCc1ccccc1
Calculated Properties
JChem
Acid pKa
5.011677
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.112881
LogD (pH = 7.4)
2.3631763
Log P
4.722975
Molar Refractivity
69.5726
Polarizability
27.340897
Polar Surface Area
37.3
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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