Molecule

ID:70351

General Information
Structure
MolImage
Molecular Formula
C₄H₄N₂
Molecular Mass
80.08796
Exact Mass
80.03744814
Charge
0
InChI
InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H
InChIKey
PBMFSQRYOILNGV-UHFFFAOYSA-N
Canonic Smiles
c1ccnnc1
Isomeric Smiles
c1cccnn1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.22
LogD (pH = 5.5)
-0.22
Log P
-0.22
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
2.52
Polar Surface Area
25.78
Polarizability
7.59
Molar Refractivity
23.76
LOG S
0.02
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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