Molecule

ID:82128

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈O₆
Molecular Mass
294.29982
Exact Mass
294.1103383
Charge
0
InChI
InChI=1S/C15H18O6/c1-4-20-14(16)8-6-11-5-7-12(13(9-11)18-2)21-10-15(17)19-3/h5-9H,4,10H2,1-3H3
InChIKey
GIJJASFJRAJLCJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)/C=C/c1ccc(c(c1)OC)OCC(=O)OC
Isomeric Smiles
O(c1c(cc(cc1)/C=C/C(=O)OCC)OC)CC(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.1806564
LogD (pH = 7.4)
2.1806564
Log P
2.1806564
Molar Refractivity
76.3577
Polarizability
29.665895
Polar Surface Area
71.06
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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