Molecule

ID:65795

General Information
Structure
MolImage
Molecular Formula
C₅HF₂N₃
Molecular Mass
141.0783464
Exact Mass
141.01385349
Charge
0
InChI
InChI=1S/C5HF2N3/c6-4-2-9-5(7)3(1-8)10-4/h2H
InChIKey
ONECIHYIQJRNTP-UHFFFAOYSA-N
Canonic Smiles
N#Cc1nc(F)cnc1F
Isomeric Smiles
c1(cnc(c(n1)C#N)F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8531127
LogD (pH = 7.4)
0.8531127
Log P
0.8531127
Molar Refractivity
29.556
Polarizability
10.072509
Polar Surface Area
49.57
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
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References
Bioactivity
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