Molecule

ID:16353

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂O₃
Molecular Mass
140.09686
Exact Mass
140.022192
Charge
0
InChI
InChI=1S/C5H4N2O3/c8-5-1-2-6-3-4(5)7(9)10/h1-3H,(H,6,8)
InChIKey
YUWOLBZMQDGRFV-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cnccc1O
Isomeric Smiles
c1cncc(c1O)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
7.2172837
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.3839661
LogD (pH = 7.4)
0.0074122916
Log P
0.39199227
Molar Refractivity
32.2025
Polarizability
12.040826
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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