Molecule

ID:53133

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₄
Molecular Mass
120.11206
Exact Mass
120.04359615
Charge
0
InChI
InChI=1S/C5H4N4/c6-1-4-2-9-5(7)3-8-4/h2-3H,(H2,7,9)
InChIKey
VYANAPRTDDQFJY-UHFFFAOYSA-N
Canonic Smiles
Nc1cnc(cn1)C#N
Isomeric Smiles
c1(cnc(cn1)N)C#N
Calculated Properties
JChem
Acid pKa
19.721066
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.454621
LogD (pH = 7.4)
-0.45462096
Log P
-0.45462096
Molar Refractivity
32.1077
Polarizability
11.545024
Polar Surface Area
75.59
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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