Molecule

ID:23613

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₀N₂O₄
Molecular Mass
388.4159
Exact Mass
388.14230713
Charge
0
InChI
InChI=1S/C23H20N2O4/c26-21(14-13-16-7-2-1-3-8-16)24-17-9-6-10-18(15-17)25-22(27)19-11-4-5-12-20(19)23(28)29/h1-12,15H,13-14H2,(H,24,26)(H,25,27)(H,28,29)
InChIKey
GVUZXHMPXKIQAE-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1)NC(=O)c1ccccc1C(=O)O)CCc1ccccc1
Isomeric Smiles
C(=O)(c1c(C(=O)O)cccc1)Nc1cc(NC(=O)CCc2ccccc2)ccc1
Calculated Properties
JChem
Acid pKa
2.910288
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.6957326
LogD (pH = 7.4)
0.75498617
Log P
4.239332
Molar Refractivity
113.0336
Polarizability
41.576508
Polar Surface Area
95.5
Rotatable Bonds
7
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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