Molecule
ID:124994
General Information
Molecular Formula
C₁₄H₁₄N₂O₄
Molecular Mass
274.27196
Exact Mass
274.09535694
Charge
0
InChI
InChI=1S/C14H14N2O4/c1-8(17)12-6-16(7-14(19)20)13-4-3-10(5-11(12)13)15-9(2)18/h3-6H,7H2,1-2H3,(H,15,18)(H,19,20)
InChIKey
GWESRIFJZAGPRV-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc2c(c1)c(cn2CC(=O)O)C(=O)C
Isomeric Smiles
c1(cn(c2c1cc(NC(=O)C)cc2)CC(=O)O)C(=O)C
Calculated Properties
JChem
Acid pKa
3.7270813
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.2036169
LogD (pH = 7.4)
-2.7253342
Log P
0.56902504
Molar Refractivity
73.3916
Polarizability
28.357826
Polar Surface Area
88.4
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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