Molecule

ID:132014

General Information
Structure
MolImage
Molecular Formula
C₂₁H₄₂O₄
Molecular Mass
358.55578
Exact Mass
358.30830982
Charge
0
InChI
InChI=1S/C21H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-19-21(18-22)25-20(2)23/h21-22H,3-19H2,1-2H3
InChIKey
QTEHGUUSIIWOOW-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCOCC(OC(=O)C)CO
Isomeric Smiles
CCCCCCCCCCCCCCCCOCC(CO)OC(=O)C
Calculated Properties
JChem
Acid pKa
14.578925
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.9039607
LogD (pH = 7.4)
5.9039607
Log P
5.9039607
Molar Refractivity
103.5044
Polarizability
41.481476
Polar Surface Area
55.76
Rotatable Bonds
20
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
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References
Bioactivity
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