Molecule

ID:79627

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃NO₆
Molecular Mass
373.39972
Exact Mass
373.15253746
Charge
0
InChI
InChI=1S/C20H23NO6/c1-4-25-16(22)11-15-17(13(3)21-18(15)20(24)26-5-2)19(23)27-12-14-9-7-6-8-10-14/h6-10,21H,4-5,11-12H2,1-3H3
InChIKey
SUOIGDNKOOZTNL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1c(C(=O)OCc2ccccc2)c([nH]c1C(=O)OCC)C
Isomeric Smiles
[nH]1c(c(c(c1C(=O)OCC)CC(=O)OCC)C(=O)OCc1ccccc1)C
Calculated Properties
JChem
Acid pKa
7.38927
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3964956
LogD (pH = 7.4)
3.1463332
Log P
3.4013777
Molar Refractivity
100.0811
Polarizability
38.256123
Polar Surface Area
94.69
Rotatable Bonds
11
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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