Molecule

ID:86074

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₄
Molecular Mass
120.11206
Exact Mass
120.04359615
Charge
0
InChI
InChI=1S/C5H4N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,(H2,7,8,9)
InChIKey
JAIYUIOGVNRXEW-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cncnc1N
Isomeric Smiles
n1c(c(cnc1)C#N)N
Calculated Properties
JChem
Acid pKa
18.321661
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.32876045
LogD (pH = 7.4)
-0.32863835
Log P
-0.32863677
Molar Refractivity
33.4578
Polarizability
11.540871
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
References
Bioactivity
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