Molecule

ID:53351

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈N₂O₄
Molecular Mass
338.35722
Exact Mass
338.12665707
Charge
0
InChI
InChI=1S/C19H18N2O4/c1-3-25-19(24)15-16(22)14-10-9-12(2)20-17(14)21(18(15)23)11-13-7-5-4-6-8-13/h4-10,22H,3,11H2,1-2H3
InChIKey
GUJUFQXQKVJRKG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(O)c2ccc(nc2n(c1=O)Cc1ccccc1)C
Isomeric Smiles
c1c(nc2c(c1)c(O)c(c(=O)n2Cc1ccccc1)C(=O)OCC)C
Calculated Properties
JChem
Acid pKa
5.2120495
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.7826728
LogD (pH = 7.4)
0.15105478
Log P
2.2635684
Molar Refractivity
93.2401
Polarizability
35.36719
Polar Surface Area
79.73
Rotatable Bonds
5
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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