Molecule
ID:74612
General Information
Molecular Formula
C₁₇H₁₂N₂O₃
Molecular Mass
292.28878
Exact Mass
292.08479225
Charge
0
InChI
InChI=1S/C17H12N2O3/c18-17(22)10-5-7-11(8-6-10)19-9-14-15(20)12-3-1-2-4-13(12)16(14)21/h1-9,19H,(H2,18,22)
InChIKey
IYBFKLHCFUAVDZ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccc(cc1)N/C=C/1\C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N(c1ccc(cc1)C(=O)N)/C=C/1\C(=O)c2c(cccc2)C1=O
Calculated Properties
JChem
Acid pKa
13.352548
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.3499522
LogD (pH = 7.4)
1.349952
Log P
1.3499523
Molar Refractivity
83.9885
Polarizability
30.394869
Polar Surface Area
89.26
Rotatable Bonds
3
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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