Molecule

ID:112407

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂O₃
Molecular Mass
242.2301
Exact Mass
242.06914219
Charge
0
InChI
InChI=1S/C13H10N2O3/c16-13-4-2-1-3-10(13)9-14-11-5-7-12(8-6-11)15(17)18/h1-9,16H
InChIKey
OEJXTWLBSDOISG-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1/C=N/c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
Oc1ccccc1/C=N/c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
8.33313
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.483285
LogD (pH = 7.4)
3.436337
Log P
3.4839256
Molar Refractivity
70.6932
Polarizability
24.930767
Polar Surface Area
78.41
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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