Molecule

ID:66893

General Information
Structure
MolImage
Molecular Formula
C₄H₃N₃O₃
Molecular Mass
141.08492
Exact Mass
141.01744097
Charge
0
InChI
InChI=1S/C4H3N3O3/c8-4-5-1-3(2-6-4)7(9)10/h1-2H,(H,5,6,8)
InChIKey
ZNNRVSOVVLYQBV-UHFFFAOYSA-N
Canonic Smiles
Oc1ncc(cn1)[N+](=O)[O-]
Isomeric Smiles
c1(ncc(cn1)[N+](=O)[O-])O
Calculated Properties
JChem
Acid pKa
10.892718
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.36493862
LogD (pH = 7.4)
0.36480215
Log P
0.36494035
Molar Refractivity
30.9697
Polarizability
11.263487
Polar Surface Area
89.15
Rotatable Bonds
1
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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