Molecule

ID:23603

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₆N₂O₅
Molecular Mass
364.35144
Exact Mass
364.10592162
Charge
0
InChI
InChI=1S/C20H16N2O5/c23-18(21-12-15-7-4-10-27-15)13-5-3-6-14(11-13)22-19(24)16-8-1-2-9-17(16)20(25)26/h1-11H,12H2,(H,21,23)(H,22,24)(H,25,26)
InChIKey
DDZPAODNKBWJRA-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccc(c1)NC(=O)c1ccccc1C(=O)O)NCc1ccco1
Isomeric Smiles
C(=O)(c1c(C(=O)O)cccc1)Nc1cc(C(=O)NCc2occc2)ccc1
Calculated Properties
JChem
Acid pKa
2.9103246
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.03815428
LogD (pH = 7.4)
-0.90269905
Log P
2.5817497
Molar Refractivity
99.8263
Polarizability
36.44029
Polar Surface Area
108.64
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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