Molecule

ID:36948

General Information
Structure
MolImage
Molecular Formula
C₄H₄N₄O₃
Molecular Mass
156.09956
Exact Mass
156.02834001
Charge
0
InChI
InChI=1S/C4H4N4O3/c5-4(9)3-2(8(10)11)1-6-7-3/h1H,(H2,5,9)(H,6,7)
InChIKey
SVHOGXCJBBYKOT-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c[nH]nc1C(=O)N
Isomeric Smiles
[nH]1cc(c(n1)C(=O)N)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
8.172276
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.012844
LogD (pH = 7.4)
-1.077888
Log P
-1.0119445
Molar Refractivity
35.0218
Polarizability
12.176507
Polar Surface Area
114.91
Rotatable Bonds
2
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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