Molecule

ID:22371

General Information
Structure
MolImage
Molecular Formula
C₄H₃N₃O₄
Molecular Mass
157.08432
Exact Mass
157.01235559
Charge
0
InChI
InChI=1S/C4H3N3O4/c8-4(9)3-2(7(10)11)1-5-6-3/h1H,(H,5,6)(H,8,9)
InChIKey
ZMAXXOYJWZZQBK-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c[nH]nc1C(=O)O
Isomeric Smiles
c1(c(n[nH]c1)C(=O)O)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
3.3919823
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.834398
LogD (pH = 7.4)
-3.1440966
Log P
0.26084724
Molar Refractivity
32.9501
Polarizability
11.749081
Polar Surface Area
109.12
Rotatable Bonds
2
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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