Molecule

ID:34943

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₄O
Molecular Mass
136.11146
Exact Mass
136.03851077
Charge
0
InChI
InChI=1S/C5H4N4O/c10-9-5-4(7-8-9)2-1-3-6-5/h1-3,10H
InChIKey
FPIRBHDGWMWJEP-UHFFFAOYSA-N
Canonic Smiles
On1nnc2c1nccc2
Isomeric Smiles
n1(nnc2c1nccc2)O
Calculated Properties
JChem
Acid pKa
4.878624
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.9290792
LogD (pH = 7.4)
-2.3647661
Log P
-0.22123325
Molar Refractivity
43.9377
Polarizability
12.874772
Polar Surface Area
63.83
Rotatable Bonds
0
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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