Molecule

ID:34767

General Information
Structure
MolImage
Molecular Formula
C₃H₂N₄O
Molecular Mass
110.07418
Exact Mass
110.0228607
Charge
0
InChI
InChI=1S/C3H2N4O/c4-1-2-3(5)7-8-6-2/h(H2,5,7)
InChIKey
SJAYVHFNURJLAG-UHFFFAOYSA-N
Canonic Smiles
Nc1nonc1C#N
Isomeric Smiles
c1(c(non1)N)C#N
Calculated Properties
JChem
Acid pKa
12.876615
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.43043083
LogD (pH = 7.4)
-0.43043217
Log P
-0.43043083
Molar Refractivity
26.7921
Polarizability
8.626239
Polar Surface Area
88.73
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
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References
Bioactivity
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