Molecule

ID:32061

General Information
Structure
MolImage
Molecular Formula
C₄HF₃N₂
Molecular Mass
134.0593496
Exact Mass
134.0091827
Charge
0
InChI
InChI=1S/C4HF3N2/c5-2-1-8-4(7)9-3(2)6/h1H
InChIKey
LYBDHGMSPQBSNW-UHFFFAOYSA-N
Canonic Smiles
Fc1ncc(c(n1)F)F
Isomeric Smiles
c1(nc(c(cn1)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3500311
LogD (pH = 7.4)
1.3500311
Log P
1.3500311
Molar Refractivity
25.0334
Polarizability
8.178184
Polar Surface Area
25.78
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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