Molecule
ID:75126
General Information
Molecular Formula
C₅H₄N₂O₂
Molecular Mass
124.09746
Exact Mass
124.02727738
Charge
0
InChI
InChI=1S/C5H4N2O2/c8-7(9)5-1-3-6-4-2-5/h1-4H
InChIKey
FEXIEMAAKBNTFK-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccncc1
Isomeric Smiles
n1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6955103
LogD (pH = 7.4)
0.695557
Log P
0.6955576
Molar Refractivity
31.2258
Polarizability
11.35676
Polar Surface Area
58.71
Rotatable Bonds
1
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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