Molecule

ID:80863

General Information
Structure
MolImage
Molecular Formula
C₆H₅N₃O₂
Molecular Mass
151.1228
Exact Mass
151.03817642
Charge
0
InChI
InChI=1S/C6H5N2O2.N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5H;/q-1;+1
InChIKey
JTZDBRPYLDJMAO-UHFFFAOYSA-N
Canonic Smiles
O=NN(c1ccccc1)[O-].[N+]
Isomeric Smiles
N(c1ccccc1)(N=O)[O-].[N+]
Calculated Properties
JChem
Acid pKa
8.887525
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4695374
LogD (pH = 7.4)
1.4558651
Log P
1.4697145
Molar Refractivity
35.5743
Polarizability
12.874542
Polar Surface Area
55.73
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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