Molecule
ID:124223
General Information
Molecular Formula
C₁₇H₁₄N₂O₃
Molecular Mass
294.30466
Exact Mass
294.10044232
Charge
0
InChI
InChI=1S/C17H14N2O3/c20-16(21)11-10-14-17(22)19(12-6-2-1-3-7-12)15-9-5-4-8-13(15)18-14/h1-9H,10-11H2,(H,20,21)
InChIKey
UVNXMKDRYFFUOD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1nc2ccccc2n(c1=O)c1ccccc1
Isomeric Smiles
n1(c(=O)c(nc2c1cccc2)CCC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.8622549
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.9327754
LogD (pH = 7.4)
-0.6573271
Log P
2.5758426
Molar Refractivity
82.7414
Polarizability
30.803362
Polar Surface Area
69.97
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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