Molecule
ID:121259
General Information
Molecular Formula
C₁₁H₈N₂O₃
Molecular Mass
216.19282
Exact Mass
216.05349213
Charge
0
InChI
InChI=1S/C11H8N2O3/c12-11(16)7-1-3-8(4-2-7)13-9(14)5-6-10(13)15/h1-6H,(H2,12,16)
InChIKey
BLWRWONDAJQQRL-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccc(cc1)C(=O)N
Isomeric Smiles
N1(C(=O)C=CC1=O)c1ccc(C(=O)N)cc1
Calculated Properties
JChem
Acid pKa
14.170549
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.09637102
LogD (pH = 7.4)
0.09637194
Log P
0.09637188
Molar Refractivity
57.1041
Polarizability
20.874147
Polar Surface Area
80.47
Rotatable Bonds
2
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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