Molecule

ID:65711

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂O₄
Molecular Mass
156.09626
Exact Mass
156.01710662
Charge
0
InChI
InChI=1S/C5H4N2O4/c8-3-1-2-6-5(9)4(3)7(10)11/h1-2H,(H2,6,8,9)
InChIKey
BKYGVGWYPFVKTK-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(O)ccnc1O
Isomeric Smiles
c1(c(c(ccn1)O)[N+](=O)[O-])O
Calculated Properties
JChem
Acid pKa
7.3959184
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.6775481
LogD (pH = 7.4)
0.3895249
Log P
0.68288445
Molar Refractivity
34.4969
Polarizability
12.748022
Polar Surface Area
96.49
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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