Molecule

ID:103145

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₂
Molecular Mass
104.10936
Exact Mass
104.03744814
Charge
0
InChI
InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H
InChIKey
GPHQHTOMRSGBNZ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccncc1
Isomeric Smiles
N#Cc1ccncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6116605
LogD (pH = 7.4)
0.6116695
Log P
0.6116696
Molar Refractivity
29.6227
Polarizability
11.257855
Polar Surface Area
36.68
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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