Molecule

ID:61433

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂O₂
Molecular Mass
234.33398
Exact Mass
234.16197994
Charge
0
InChI
InChI=1S/C15H22O2/c1-5-17-15(16)12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3
InChIKey
HXTFUVWJFLDLJP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(c1ccc(cc1)CC(C)C)C
Isomeric Smiles
C(=O)(C(C)c1ccc(cc1)CC(C)C)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.34626
LogD (pH = 7.4)
4.34626
Log P
4.34626
Molar Refractivity
70.2496
Polarizability
27.59545
Polar Surface Area
26.3
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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