Molecule

ID:36304

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂N₂O₄
Molecular Mass
342.38898
Exact Mass
342.15795719
Charge
0
InChI
InChI=1S/C19H22N2O4/c1-25-17-9-7-16(8-10-17)21(14-19(23)24)13-18(22)20-12-11-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,20,22)(H,23,24)
InChIKey
WQQNMSZKVFZAEH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)O)CC(=O)NCCc1ccccc1
Isomeric Smiles
N(CC(=O)NCCc1ccccc1)(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
4.011612
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.8111162
LogD (pH = 7.4)
-0.842919
Log P
2.3094528
Molar Refractivity
95.2055
Polarizability
36.355427
Polar Surface Area
78.87
Rotatable Bonds
9
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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