Molecule

ID:111491

General Information
Structure
MolImage
Molecular Formula
C₂₁H₄₂O₄
Molecular Mass
358.55578
Exact Mass
358.30830982
Charge
0
InChI
InChI=1S/C21H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)25-19-21(2,17-22)18-23/h22-23H,3-19H2,1-2H3
InChIKey
RZCXLAVLGNSKPI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)C
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)OCC(C)(CO)CO
Calculated Properties
JChem
Acid pKa
14.676017
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
5.4632387
LogD (pH = 7.4)
5.4632387
Log P
5.4632387
Molar Refractivity
103.544395
Polarizability
41.40864
Polar Surface Area
66.76
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
No Data Available
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Molecule Details
References
Bioactivity
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