Molecule

ID:39660

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂O₄
Molecular Mass
258.2295
Exact Mass
258.06405681
Charge
0
InChI
InChI=1S/C13H10N2O4/c1-14-7-10(6-12(14)8-16)13(17)9-2-4-11(5-3-9)15(18)19/h2-8H,1H3
InChIKey
NXKMAVMESJKNLK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(cn1C)C(=O)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1(cn(c(c1)C=O)C)C(=O)c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.3086467
LogD (pH = 7.4)
2.3086467
Log P
2.3086467
Molar Refractivity
70.0752
Polarizability
25.256992
Polar Surface Area
84.89
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
Molecule Details
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References
Bioactivity
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