Molecule

ID:76811

General Information
Structure
MolImage
Molecular Formula
C₂H₅N₃O₃
Molecular Mass
119.0794
Exact Mass
119.03309104
Charge
0
InChI
InChI=1S/C2H5N3O3/c3-4-2(6)1-5(7)8/h1,3H2,(H,4,6)
InChIKey
RDMOOVWZZPJQHM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)CC(=O)NN
Isomeric Smiles
[N+](=O)(CC(=O)NN)[O-]
Calculated Properties
JChem
Acid pKa
7.263409
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.6156133
LogD (pH = 7.4)
-1.979853
Log P
-1.6059004
Molar Refractivity
24.9785
Polarizability
9.24084
Polar Surface Area
100.94
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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