Molecule

ID:114126

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₄
Molecular Mass
274.27196
Exact Mass
274.09535694
Charge
0
InChI
InChI=1S/C14H14N2O4/c1-3-20-14(19)13-11(17)8-12(18)16(15-13)10-6-4-9(2)5-7-10/h4-8,17H,3H2,1-2H3
InChIKey
YTXMYUMDRRZXMQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nn(c2ccc(cc2)C)c(=O)cc1O
Isomeric Smiles
n1c(c(cc(=O)n1c1ccc(cc1)C)O)C(=O)OCC
Calculated Properties
JChem
Acid pKa
4.83626
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.7985595
LogD (pH = 7.4)
0.026661549
Log P
2.5469635
Molar Refractivity
73.4329
Polarizability
27.360819
Polar Surface Area
79.2
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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