Molecule

ID:53329

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₄
Molecular Mass
276.28784
Exact Mass
276.111007
Charge
0
InChI
InChI=1S/C14H16N2O4/c1-4-20-14(19)10-11(17)9-6-5-7-15-12(9)16(8(2)3)13(10)18/h5-8,17H,4H2,1-3H3
InChIKey
KIAXGMXWGFVVQW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(O)c2cccnc2n(c1=O)C(C)C
Isomeric Smiles
c1cnc2c(c1)c(O)c(c(=O)n2C(C)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
4.8385763
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.42959803
LogD (pH = 7.4)
-1.1989295
Log P
1.181108
Molar Refractivity
73.2034
Polarizability
27.730726
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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