Molecule

ID:90594

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆O₄
Molecular Mass
330.41804
Exact Mass
330.18310931
Charge
0
InChI
InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
InChIKey
VOWAEIGWURALJQ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1
Isomeric Smiles
O(C1CCCCC1)C(=O)c1c(cccc1)C(=O)OC1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.5787406
LogD (pH = 7.4)
5.5787406
Log P
5.5787406
Molar Refractivity
92.137
Polarizability
36.128376
Polar Surface Area
52.6
Rotatable Bonds
6
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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