Molecule

ID:75430

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈N₂O₂
Molecular Mass
224.21482
Exact Mass
224.05857751
Charge
0
InChI
InChI=1S/C13H8N2O2/c16-15(17)12-7-3-5-10-8-9-4-1-2-6-11(9)14-13(10)12/h1-8H
InChIKey
VOXJXIMFTHTSAF-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc2c1nc1ccccc1c2
Isomeric Smiles
n1c2c(cc3ccccc13)cccc2[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4363604
LogD (pH = 7.4)
3.4460862
Log P
3.4462118
Molar Refractivity
63.3822
Polarizability
26.371706
Polar Surface Area
58.71
Rotatable Bonds
1
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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