Molecule

ID:53348

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O₄
Molecular Mass
262.26126
Exact Mass
262.09535694
Charge
0
InChI
InChI=1S/C13H14N2O4/c1-4-19-13(18)9-10(16)8-6-5-7(2)14-11(8)15(3)12(9)17/h5-6,16H,4H2,1-3H3
InChIKey
GIUGFEXUGASMSZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(O)c2ccc(nc2n(c1=O)C)C
Isomeric Smiles
c1c(nc2c(c1)c(O)c(c(=O)n2C)C(=O)OCC)C
Calculated Properties
JChem
Acid pKa
5.083995
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.04210875
LogD (pH = 7.4)
-1.6824927
Log P
0.5390952
Molar Refractivity
68.6275
Polarizability
25.82772
Polar Surface Area
79.73
Rotatable Bonds
3
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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