Molecule

ID:88432

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀O₅
Molecular Mass
268.3056
Exact Mass
268.13107374
Charge
0
InChI
InChI=1S/C14H20O5/c1-4-17-13(18-5-2)10-19-12-8-6-11(7-9-12)14(15)16-3/h6-9,13H,4-5,10H2,1-3H3
InChIKey
XSRLBZFGEQXSLU-UHFFFAOYSA-N
Canonic Smiles
CCOC(COc1ccc(cc1)C(=O)OC)OCC
Isomeric Smiles
O=C(c1ccc(cc1)OCC(OCC)OCC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7645946
LogD (pH = 7.4)
2.7645946
Log P
2.7645946
Molar Refractivity
70.8683
Polarizability
27.884615
Polar Surface Area
53.99
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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