Molecule

ID:22356

General Information
Structure
MolImage
Molecular Formula
C₇H₅N₃O₂
Molecular Mass
163.1335
Exact Mass
163.03817642
Charge
0
InChI
InChI=1S/C7H5N3O2/c11-10(12)7-5-8-6-3-1-2-4-9(6)7/h1-5H
InChIKey
WYDBFRQNRYIZSL-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cnc2n1cccc2
Isomeric Smiles
n12c(cnc2cccc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.78873736
LogD (pH = 7.4)
0.78882354
Log P
0.7888246
Molar Refractivity
41.5102
Polarizability
15.224466
Polar Surface Area
60.44
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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