Molecule

ID:109351

General Information
Structure
MolImage
Molecular Formula
C₂₆H₄₂O₄
Molecular Mass
418.60928
Exact Mass
418.30830982
Charge
0
InChI
InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3
InChIKey
DROMNWUQASBTFM-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC
Isomeric Smiles
CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
9.073685
LogD (pH = 7.4)
9.073685
Log P
9.073685
Molar Refractivity
123.8658
Polarizability
48.639175
Polar Surface Area
52.6
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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