Molecule

ID:23607

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀N₂O₄
Molecular Mass
340.3731
Exact Mass
340.14230713
Charge
0
InChI
InChI=1S/C19H20N2O4/c1-12(2)11-17(22)20-13-7-9-14(10-8-13)21-18(23)15-5-3-4-6-16(15)19(24)25/h3-10,12H,11H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)
InChIKey
UOYWKADBWIMCEI-UHFFFAOYSA-N
Canonic Smiles
CC(CC(=O)Nc1ccc(cc1)NC(=O)c1ccccc1C(=O)O)C
Isomeric Smiles
C(=O)(c1c(C(=O)O)cccc1)Nc1ccc(NC(=O)CC(C)C)cc1
Calculated Properties
JChem
Acid pKa
2.9103003
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.8489586
LogD (pH = 7.4)
-0.09178701
Log P
3.3925476
Molar Refractivity
97.4872
Polarizability
35.678513
Polar Surface Area
95.5
Rotatable Bonds
6
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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