Molecule

ID:111994

General Information
Structure
MolImage
Molecular Formula
CH₈N₄O₆
Molecular Mass
172.09742
Exact Mass
172.044384
Charge
0
InChI
InChI=1S/CH6N2.2HNO3/c2-1-3;2*2-1(3)4/h1-3H2;2*(H,2,3,4)
InChIKey
GBLCMZPZFUJHDD-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)O.[O-][N+](=O)O.NCN
Isomeric Smiles
NCN.O[N+](=O)[O-].O[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
-1.3999903
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3479722
LogD (pH = 7.4)
-2.3479848
Log P
0.028413763
Molar Refractivity
10.473
Polarizability
3.677472
Polar Surface Area
66.05
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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