Molecule

ID:36291

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₄N₂O₆
Molecular Mass
388.41436
Exact Mass
388.1634365
Charge
0
InChI
InChI=1S/C20H24N2O6/c1-26-16-9-7-15(8-10-16)22(13-19(24)25)12-18(23)21-11-14-5-4-6-17(27-2)20(14)28-3/h4-10H,11-13H2,1-3H3,(H,21,23)(H,24,25)
InChIKey
GJJBNXCXPKMKET-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)O)CC(=O)NCc1cccc(c1OC)OC
Isomeric Smiles
N(CC(=O)NCc1c(c(OC)ccc1)OC)(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.6717916
H Acceptors
7
H Donor
2
LogD (pH = 5.5)
-0.120606706
LogD (pH = 7.4)
-1.6111696
Log P
1.7054491
Molar Refractivity
103.3769
Polarizability
39.591507
Polar Surface Area
97.33
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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