Molecule

ID:38842

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₀N₂O₅
Molecular Mass
416.426
Exact Mass
416.13722175
Charge
0
InChI
InChI=1S/C24H20N2O5/c1-14(27)25-15-10-11-22(20(12-15)23(28)29)26-24(30)31-13-21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-12,21H,13H2,1H3,(H,25,27)(H,26,30)(H,28,29)
InChIKey
FVLXPSCVGYITQG-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(c(c1)C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
c1(cc(ccc1NC(=O)OCC1c2c(c3c1cccc3)cccc2)NC(=O)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0404692
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
1.4858757
LogD (pH = 7.4)
0.44184372
Log P
3.9114313
Molar Refractivity
117.6762
Polarizability
44.743774
Polar Surface Area
104.73
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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