Molecule

ID:107477

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₃O₂+
Molecular Mass
150.11486
Exact Mass
150.03035138
Charge
1
InChI
InChI=1S/C6H4N3O2/c7-8-5-3-1-2-4-6(5)9(10)11/h1-4H/q+1
InChIKey
AYTSDBGAHOKDHJ-UHFFFAOYSA-N
Canonic Smiles
N#[N+]c1ccccc1[N+](=O)[O-]
Isomeric Smiles
[O-][N+](=O)c1ccccc1[N+]#N
Calculated Properties
JChem
LogD (pH = 7.4)
1.75
LogD (pH = 5.5)
1.75
Log P
1.75
Rotatable Bonds
1
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
true
Polar Surface Area
71.29
Polarizability
12.85
Molar Refractivity
58.02
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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