Molecule

ID:129481

General Information
Structure
Molecular Formula
C₂₀H₂₀O₇
Molecular Mass
372.3686
Exact Mass
372.12090298
Charge
0
InChI
InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
InChIKey
LKMNXYDUQXAUCZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1OC)c1cc(=O)c2c(o1)cc(c(c2OC)OC)OC
Isomeric Smiles
COc1c(cc(cc1)c1cc(=O)c2c(c(c(cc2o1)OC)OC)OC)OC
Calculated Properties
JChem
Acid pKa
15.277345
H Acceptors
7
H Donor
0
LogD (pH = 5.5)
2.1790287
LogD (pH = 7.4)
2.1790287
Log P
2.1790287
Molar Refractivity
99.2872
Polarizability
37.90183
Polar Surface Area
72.45
Rotatable Bonds
6
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
References
Bioactivity
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