Molecule

ID:91036

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₆O₂
Molecular Mass
332.52004
Exact Mass
332.27153039
Charge
0
InChI
InChI=1S/C22H36O2/c1-24-22(23)20-16-11-9-7-5-3-2-4-6-8-10-13-17-21-18-14-12-15-19-21/h12,14-15,18-19H,2-11,13,16-17,20H2,1H3
InChIKey
ABOXOJMJRBLUDL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCCCCCCCCCCCCc1ccccc1
Isomeric Smiles
O=C(CCCCCCCCCCCCCCc1ccccc1)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.5362806
LogD (pH = 7.4)
7.5362806
Log P
7.5362806
Molar Refractivity
101.9477
Polarizability
40.519466
Polar Surface Area
26.3
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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