Molecule

ID:53136

General Information
Structure
MolImage
Molecular Formula
C₄H₃FN₂
Molecular Mass
98.0784232
Exact Mass
98.02802633
Charge
0
InChI
InChI=1S/C4H3FN2/c5-4-1-6-3-7-2-4/h1-3H
InChIKey
KSPDSMOWMQFPBL-UHFFFAOYSA-N
Canonic Smiles
Fc1cncnc1
Isomeric Smiles
n1cncc(c1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.19243637
LogD (pH = 7.4)
0.19243738
Log P
0.1924374
Molar Refractivity
22.9387
Polarizability
8.298529
Polar Surface Area
25.78
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
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Molecule Details
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References
Bioactivity
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