Molecule
ID:76514
General Information
Molecular Formula
C₉H₆N₂O₃
Molecular Mass
190.15554
Exact Mass
190.03784206
Charge
0
InChI
InChI=1S/C9H6N2O3/c12-11(13)8-3-1-7(2-4-8)9-5-10-6-14-9/h1-6H
InChIKey
JJFHVOMPLSSUEC-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)c1cnco1
Isomeric Smiles
n1coc(c1)c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4223427
LogD (pH = 7.4)
1.4223478
Log P
1.4223479
Molar Refractivity
49.1058
Polarizability
19.13268
Polar Surface Area
71.85
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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