Molecule

ID:23622

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₀N₂O₄
Molecular Mass
388.4159
Exact Mass
388.14230713
Charge
0
InChI
InChI=1S/C23H20N2O4/c1-2-25(18-8-4-3-5-9-18)22(27)16-12-14-17(15-13-16)24-21(26)19-10-6-7-11-20(19)23(28)29/h3-15H,2H2,1H3,(H,24,26)(H,28,29)
InChIKey
MXVQBVZOKOHFIU-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)c1ccc(cc1)NC(=O)c1ccccc1C(=O)O)c1ccccc1
Isomeric Smiles
C(=O)(N(c1ccccc1)CC)c1ccc(NC(=O)c2c(C(=O)O)cccc2)cc1
Calculated Properties
JChem
Acid pKa
2.9102972
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.4918798
LogD (pH = 7.4)
0.55109495
Log P
4.0354724
Molar Refractivity
112.2457
Polarizability
41.55116
Polar Surface Area
86.71
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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