Molecule

ID:109192

General Information
Structure
MolImage
Molecular Formula
C₂₂H₄₂O₄
Molecular Mass
370.56648
Exact Mass
370.30830982
Charge
0
InChI
InChI=1S/C22H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(24)26-21-20-25-19-18-23/h9-10,23H,2-8,11-21H2,1H3
InChIKey
PHDVPEOLXYBNJY-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC/C=C/CCCCCCCC(=O)OCCOCCO
Isomeric Smiles
CCCCCCCC/C=C/CCCCCCCC(=O)OCCOCCO
Calculated Properties
JChem
Acid pKa
15.121155
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.192615
LogD (pH = 7.4)
6.192615
Log P
6.192615
Molar Refractivity
109.507095
Polarizability
43.08324
Polar Surface Area
55.76
Rotatable Bonds
21
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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