Molecule

ID:36221

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₃
Molecular Mass
268.26738
Exact Mass
268.08479225
Charge
0
InChI
InChI=1S/C15H12N2O3/c16-13-6-4-12(5-7-13)15(18)10-3-11-1-8-14(9-2-11)17(19)20/h1-10H,16H2/b10-3+
InChIKey
KYLCMFUFMXUFFW-XCVCLJGOSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(/C=C/C(=O)c2ccc(N)cc2)cc1)[O-]
Calculated Properties
JChem
Acid pKa
16.925493
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.9999497
LogD (pH = 7.4)
3.0013654
Log P
3.0013835
Molar Refractivity
78.9021
Polarizability
28.325785
Polar Surface Area
88.91
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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