Molecule
ID:92373
General Information
Molecular Formula
C₁₂H₁₀N₂O₂
Molecular Mass
214.22
Exact Mass
214.07422757
Charge
0
InChI
InChI=1S/C12H10N2O2/c13-11-5-1-3-9(7-11)10-4-2-6-12(8-10)14(15)16/h1-8H,13H2
InChIKey
MFOBJFPOQKSSKE-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1cccc(c1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(ccc1)c1cccc(c1)N)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7209477
LogD (pH = 7.4)
2.7313945
Log P
2.7315295
Molar Refractivity
63.2193
Polarizability
24.27808
Polar Surface Area
71.84
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
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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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