Molecule
ID:119047
General Information
Molecular Formula
C₁₄H₁₈O₂
Molecular Mass
218.29152
Exact Mass
218.13067982
Charge
0
InChI
InChI=1S/C14H18O2/c1-14(2)10-12(8-9-16-14)13(15)11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKey
IEBQVMPRQOFLOS-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)C1CCOC(C1)(C)C
Isomeric Smiles
C(=O)(C1CC(OCC1)(C)C)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.762332
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6490507
LogD (pH = 7.4)
2.6490507
Log P
2.6490507
Molar Refractivity
64.2685
Polarizability
25.078148
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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