Molecule

ID:91037

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₆O₂
Molecular Mass
332.52004
Exact Mass
332.27153039
Charge
0
InChI
InChI=1S/C22H36O2/c1-20(19-22(23)24)15-11-8-6-4-2-3-5-7-9-12-16-21-17-13-10-14-18-21/h10,13-14,17-18,20H,2-9,11-12,15-16,19H2,1H3,(H,23,24)
InChIKey
GETJXADZUDOMNR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(CCCCCCCCCCCCc1ccccc1)C
Isomeric Smiles
OC(=O)CC(CCCCCCCCCCCCc1ccccc1)C
Calculated Properties
JChem
Acid pKa
4.9983754
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
7.057247
LogD (pH = 7.4)
5.3052683
Log P
7.677406
Molar Refractivity
101.7272
Polarizability
40.257103
Polar Surface Area
37.3
Rotatable Bonds
15
Lipinski's Rule of Five
false
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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