Molecule

ID:131649

General Information
Structure
MolImage
Molecular Formula
C₂₀H₄₂O₃
Molecular Mass
330.54568
Exact Mass
330.3133952
Charge
0
InChI
InChI=1S/C20H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-20(18-21)22-2/h20-21H,3-19H2,1-2H3
InChIKey
XAWCMDFDFNRKGK-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCOCC(OC)CO
Isomeric Smiles
CCCCCCCCCCCCCCCCOCC(CO)OC
Calculated Properties
JChem
Acid pKa
14.603796
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.105962
LogD (pH = 7.4)
6.105962
Log P
6.105962
Molar Refractivity
99.1041
Polarizability
39.57502
Polar Surface Area
38.69
Rotatable Bonds
19
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
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Molecule Details
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References
Bioactivity
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