Molecule

ID:80944

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c13-12(14)10-6-2-1-5-9(10)11-7-3-4-8-11/h1-8H
InChIKey
UQNRTIQURQZGKL-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccccc1n1cccc1
Isomeric Smiles
[N+](=O)(c1ccccc1n1cccc1)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8747487
LogD (pH = 7.4)
2.8747487
Log P
2.8747487
Molar Refractivity
62.1309
Polarizability
20.172997
Polar Surface Area
48.07
Rotatable Bonds
2
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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