Molecule

ID:78557

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂O₄
Molecular Mass
156.09626
Exact Mass
156.01710662
Charge
0
InChI
InChI=1S/C5H4N2O4/c8-5-1-2-6(9)3-4(5)7(10)11/h1-3,8H
InChIKey
GFWANJBZRUUAPA-UHFFFAOYSA-N
Canonic Smiles
[O-][n+]1ccc(c(c1)[N+](=O)[O-])O
Isomeric Smiles
[n+]1(cc(c(cc1)O)[N+](=O)[O-])[O-]
Calculated Properties
JChem
Acid pKa
7.0799036
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.87919354
LogD (pH = 7.4)
-1.3387163
Log P
-0.86816466
Molar Refractivity
35.5148
Polarizability
12.615135
Polar Surface Area
90.31
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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