Molecule
ID:33845
General Information
Molecular Formula
C₅H₄N₄O₂
Molecular Mass
152.11086
Exact Mass
152.03342539
Charge
0
InChI
InChI=1S/C5H4N4O2/c6-1-2-8-4-5(3-7-8)9(10)11/h3-4H,2H2
InChIKey
LFQFUHCPOAKRLD-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cn(nc1)CC#N
Isomeric Smiles
c1([N+](=O)[O-])cn(nc1)CC#N
Calculated Properties
JChem
Acid pKa
11.26513
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.122979455
LogD (pH = 7.4)
-0.1230369
Log P
-0.12297776
Molar Refractivity
47.35
Polarizability
12.726058
Polar Surface Area
87.43
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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