Molecule

ID:11798

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂O₃
Molecular Mass
140.09686
Exact Mass
140.022192
Charge
0
InChI
InChI=1S/C5H4N2O3/c8-5-2-1-4(3-6-5)7(9)10/h1-3H,(H,6,8)
InChIKey
XKWSQIMYNVLGBO-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cn1)[N+](=O)[O-]
Isomeric Smiles
c1(cnc(cc1)O)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
8.932075
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.98629147
LogD (pH = 7.4)
0.9740578
Log P
0.9864498
Molar Refractivity
32.516
Polarizability
12.043447
Polar Surface Area
76.26
Rotatable Bonds
1
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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