Molecule

ID:53114

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂
Molecular Mass
92.09866
Exact Mass
92.03744814
Charge
0
InChI
InChI=1S/C5H4N2/c6-4-5-2-1-3-7-5/h1-3,7H
InChIKey
BQMPGKPTOHKYHS-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc[nH]1
Isomeric Smiles
c1(ccc[nH]1)C#N
Calculated Properties
JChem
Acid pKa
14.010053
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.82922727
LogD (pH = 7.4)
0.82922715
Log P
0.82922727
Molar Refractivity
26.4159
Polarizability
9.867766
Polar Surface Area
39.58
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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