Molecule

ID:6413

General Information
Structure
MolImage
Molecular Formula
C₄H₄N₂
Molecular Mass
80.08796
Exact Mass
80.03744814
Charge
0
InChI
InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H
InChIKey
KYQCOXFCLRTKLS-UHFFFAOYSA-N
Canonic Smiles
n1ccncc1
Isomeric Smiles
c1cnccn1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.46
LogD (pH = 5.5)
-0.46
Log P
-0.46
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
0.88
Polar Surface Area
25.78
Polarizability
7.62
Molar Refractivity
21.74
LOG S
1.07
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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