Molecule

ID:119035

General Information
Structure
Molecular Formula
C₁₅H₂₂O₂
Molecular Mass
234.33398
Exact Mass
234.16197994
Charge
0
InChI
InChI=1S/C15H22O2/c1-4-5-6-14(16)11-13-7-9-15(10-8-13)17-12(2)3/h7-10,12H,4-6,11H2,1-3H3
InChIKey
PGLNDRQPPYYIQQ-UHFFFAOYSA-N
Canonic Smiles
CCCCC(=O)Cc1ccc(cc1)OC(C)C
Isomeric Smiles
O=C(Cc1ccc(OC(C)C)cc1)CCCC
Calculated Properties
JChem
Acid pKa
15.634314
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1460047
LogD (pH = 7.4)
4.1460047
Log P
4.1460047
Molar Refractivity
70.3762
Polarizability
27.658854
Polar Surface Area
26.3
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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