Molecule

ID:50856

General Information
Structure
MolImage
Molecular Formula
C₆H₃FN₂
Molecular Mass
122.0998232
Exact Mass
122.02802633
Charge
0
InChI
InChI=1S/C6H3FN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H
InChIKey
BHXHRMVSUUPOLX-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cn1)F
Isomeric Smiles
c1(ccc(cn1)F)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1402218
LogD (pH = 7.4)
1.1402218
Log P
1.1402218
Molar Refractivity
29.4671
Polarizability
10.984444
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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