Molecule
ID:78783
General Information
Molecular Formula
C₈H₅N₃O₃
Molecular Mass
191.1436
Exact Mass
191.03309104
Charge
0
InChI
InChI=1S/C8H5N3O3/c12-11(13)7-3-1-6(2-4-7)8-10-9-5-14-8/h1-5H
InChIKey
FBQDNDLFVIKPRJ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)c1nnco1
Isomeric Smiles
[N+](=O)(c1ccc(cc1)c1nnco1)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.91944
LogD (pH = 7.4)
0.91944
Log P
0.91944
Molar Refractivity
59.4099
Polarizability
17.660944
Polar Surface Area
84.74
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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