Molecule

ID:131058

General Information
Structure
MolImage
Molecular Formula
C₂₆H₃₈O₄
Molecular Mass
414.57752
Exact Mass
414.2770097
Charge
0
InChI
InChI=1S/C26H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(27)29-22-17-18-23-21(2)19-26(28)30-24(23)20-22/h17-20H,3-16H2,1-2H3
InChIKey
QKQVFFACWLFRRX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)oc(=O)cc2C
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)Oc1ccc2c(cc(=O)oc2c1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
8.169944
LogD (pH = 7.4)
8.169944
Log P
8.169944
Molar Refractivity
121.4029
Polarizability
47.750908
Polar Surface Area
52.6
Rotatable Bonds
16
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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