Molecule

ID:105958

General Information
Structure
MolImage
Molecular Formula
C₂₁H₄₂O₄
Molecular Mass
358.55578
Exact Mass
358.30830982
Charge
0
InChI
InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3
InChIKey
VBICKXHEKHSIBG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
Calculated Properties
JChem
LogD (pH = 7.4)
5.97
LogD (pH = 5.5)
5.97
Log P
5.97
Rotatable Bonds
20
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
false
Acid pKa
13.62
Polar Surface Area
66.76
Polarizability
46.64
Molar Refractivity
103.31
LOG S
-7.54
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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