Molecule

ID:63569

General Information
Structure
MolImage
Molecular Formula
C₅H₂FN₃
Molecular Mass
123.0878832
Exact Mass
123.0232753
Charge
0
InChI
InChI=1S/C5H2FN3/c6-5-2-1-4(3-7)8-9-5/h1-2H
InChIKey
NTDISTIQLNPEDF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(nn1)C#N
Isomeric Smiles
Fc1ccc(C#N)nn1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.55438256
LogD (pH = 7.4)
0.55438256
Log P
0.55438256
Molar Refractivity
30.3451
Polarizability
10.181782
Polar Surface Area
49.57
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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