Molecule

ID:103144

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₂
Molecular Mass
104.10936
Exact Mass
104.03744814
Charge
0
InChI
InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H
InChIKey
GZPHSAQLYPIAIN-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccnc1
Isomeric Smiles
N#Cc1cccnc1
Calculated Properties
JChem
LogD (pH = 7.4)
0.61
LogD (pH = 5.5)
0.61
Log P
0.61
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
1.40
Polar Surface Area
36.68
Polarizability
10.17
Molar Refractivity
29.62
LOG S
-0.43
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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