Molecule

ID:77391

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈O₆
Molecular Mass
354.35332
Exact Mass
354.1103383
Charge
0
InChI
InChI=1S/C20H18O6/c1-13(21)24-18-8-6-16(7-9-18)4-5-17-10-19(25-14(2)22)12-20(11-17)26-15(3)23/h4-12H,1-3H3
InChIKey
PDAYUJSOJIMKIS-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccc(cc1)/C=C/c1cc(OC(=O)C)cc(c1)OC(=O)C
Isomeric Smiles
O(c1ccc(cc1)/C=C/c1cc(cc(c1)OC(=O)C)OC(=O)C)C(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1348698
LogD (pH = 7.4)
3.1348698
Log P
3.1348698
Molar Refractivity
94.91
Polarizability
36.8026
Polar Surface Area
78.9
Rotatable Bonds
8
Lipinski's Rule of Five
true
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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