Molecule
ID:80726
General Information
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c13-12(14)10-5-3-4-9(8-10)11-6-1-2-7-11/h1-8H
InChIKey
GTWSUEQDVMZTRP-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1)n1cccc1
Isomeric Smiles
[N+](=O)(c1cc(ccc1)n1cccc1)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5154
LogD (pH = 7.4)
2.5154
Log P
2.5154
Molar Refractivity
63.1351
Polarizability
20.1636
Polar Surface Area
50.75
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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