Molecule
ID:120980
General Information
Molecular Formula
C₁₂H₁₂N₂O₃
Molecular Mass
232.23528
Exact Mass
232.08479225
Charge
0
InChI
InChI=1S/C12H12N2O3/c1-2-17-12(16)10-8-13-14(11(10)15)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3
InChIKey
BKAQQUZLVZCBFR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1C=NN(C1=O)c1ccccc1
Isomeric Smiles
N1(C(=O)C(C=N1)C(=O)OCC)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.411391
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2758397
LogD (pH = 7.4)
1.2758397
Log P
1.2758397
Molar Refractivity
60.8254
Polarizability
23.361912
Polar Surface Area
58.97
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
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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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