Molecule

ID:128622

General Information
Structure
MolImage
Molecular Formula
CH₄N₄O₂
Molecular Mass
104.06806
Exact Mass
104.03342539
Charge
0
InChI
InChI=1S/CH4N4O2/c2-1(3)4-5(6)7/h(H4,2,3,4)
InChIKey
IDCPFAYURAQKDZ-UHFFFAOYSA-N
Canonic Smiles
NC(=N[N+](=O)[O-])N
Isomeric Smiles
NC(=N[N+](=O)[O-])N
Calculated Properties
JChem
LogD (pH = 7.4)
-1.44
LogD (pH = 5.5)
-1.44
Log P
-1.44
Rotatable Bonds
1
H Donor
2
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
-0.15
Polar Surface Area
107.54
Polarizability
7.86
Molar Refractivity
21.35
LOG S
-0.33
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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