Molecule

ID:91039

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₆O₂
Molecular Mass
332.52004
Exact Mass
332.27153039
Charge
0
InChI
InChI=1S/C22H36O2/c23-22(24)20-16-11-9-7-5-3-1-2-4-6-8-10-13-17-21-18-14-12-15-19-21/h12,14-15,18-19H,1-11,13,16-17,20H2,(H,23,24)
InChIKey
MFCNMXMQLKDGPQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCCCCCCCCc1ccccc1
Isomeric Smiles
OC(=O)CCCCCCCCCCCCCCCc1ccccc1
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
7.17915
LogD (pH = 7.4)
5.420015
Log P
7.834955
Molar Refractivity
101.7796
Polarizability
40.257103
Polar Surface Area
37.3
Rotatable Bonds
16
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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