Molecule

ID:127051

General Information
Structure
MolImage
Molecular Formula
C₂₆H₄₂O₄
Molecular Mass
418.60928
Exact Mass
418.30830982
Charge
0
InChI
InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3
InChIKey
HBGGXOJOCNVPFY-UHFFFAOYSA-N
Canonic Smiles
CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C
Isomeric Smiles
O=C(OCCCCCCC(C)C)c1ccccc1C(=O)OCCCCCCC(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
8.76
LogD (pH = 5.5)
8.76
Log P
8.76
Rotatable Bonds
18
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
-6.66
Polar Surface Area
52.60
Polarizability
51.16
Molar Refractivity
123.76
LOG S
-9.27
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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