Molecule

ID:130952

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₆O₃
Molecular Mass
386.48284
Exact Mass
386.18819469
Charge
0
InChI
InChI=1S/C26H26O3/c27-23(10-5-3-1-2-4-6-11-24(28)29)21-16-14-20-13-12-18-8-7-9-19-15-17-22(21)26(20)25(18)19/h7-9,12-17H,1-6,10-11H2,(H,28,29)
InChIKey
BYTYFASKKGDQIN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCCC(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1
Isomeric Smiles
c1cc2ccc3ccc(c4c3c2c(c1)cc4)C(=O)CCCCCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
5.0211167
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.730854
LogD (pH = 7.4)
3.982823
Log P
6.33385
Molar Refractivity
115.6247
Polarizability
48.57132
Polar Surface Area
54.37
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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