Molecule

ID:53350

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆N₂O₄
Molecular Mass
324.33064
Exact Mass
324.111007
Charge
0
InChI
InChI=1S/C18H16N2O4/c1-3-24-18(23)14-15(21)13-10-9-11(2)19-16(13)20(17(14)22)12-7-5-4-6-8-12/h4-10,21H,3H2,1-2H3
InChIKey
DVQROHGHOVPKDA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(O)c2ccc(nc2n(c1=O)c1ccccc1)C
Isomeric Smiles
c1c(nc2c(c1)c(O)c(c(=O)n2c1ccccc1)C(=O)OCC)C
Calculated Properties
JChem
Acid pKa
4.9597383
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.5424368
LogD (pH = 7.4)
-0.100816905
Log P
2.1970537
Molar Refractivity
88.4051
Polarizability
33.51559
Polar Surface Area
79.73
Rotatable Bonds
4
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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