Molecule

ID:128385

General Information
Structure
MolImage
Molecular Formula
C₂H₅N₅O₃
Molecular Mass
147.0928
Exact Mass
147.03923905
Charge
0
InChI
InChI=1S/C2H5N5O3/c1-6(5-8)2(3)4-7(9)10/h1H3,(H2,3,4)
InChIKey
VZUNGTLZRAYYDE-UHFFFAOYSA-N
Canonic Smiles
O=NN(/C(=N/[N+](=O)[O-])/N)C
Isomeric Smiles
CN(/C(=N/[N+](=O)[O-])/N)N=O
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-0.43984023
LogD (pH = 7.4)
-0.43984017
Log P
-0.43984017
Molar Refractivity
32.484
Polarizability
10.810854
Polar Surface Area
116.87
Rotatable Bonds
2
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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