Molecule

ID:68754

General Information
Structure
Molecular Formula
C₆H₄N₂
Molecular Mass
104.10936
Exact Mass
104.03744814
Charge
0
InChI
InChI=1S/C6H4N2/c1-2-6-7-4-3-5-8-6/h1,3-5H
InChIKey
BMNUHRHTDNKJII-UHFFFAOYSA-N
Canonic Smiles
C#Cc1ncccn1
Isomeric Smiles
c1(ncccn1)C#C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.91440594
LogD (pH = 7.4)
0.91441345
Log P
0.9144136
Molar Refractivity
27.5555
Polarizability
11.119166
Polar Surface Area
25.78
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
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Molecule Details
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References
Bioactivity
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