Molecule

ID:125416

General Information
Structure
MolImage
Molecular Formula
C₄N₈O₈
Molecular Mass
288.0916
Exact Mass
287.983909
Charge
0
InChI
InChI=1S/C4N8O8/c13-9(14)3-1(7-19-11(3)17)5-6-2-4(10(15)16)12(18)20-8-2
InChIKey
OWPQEEJZQLEILY-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(/N=N/c2no[n+](c2[N+](=O)[O-])[O-])no[n+]1[O-]
Isomeric Smiles
[O-][n+]1onc(c1[N+](=O)[O-])/N=N/c1no[n+]([O-])c1[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
12
H Donor
0
LogD (pH = 5.5)
0.6206
LogD (pH = 7.4)
0.6206
Log P
0.6206
Molar Refractivity
101.003
Polarizability
18.01111
Polar Surface Area
219.34
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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