Molecule

ID:6496

General Information
Structure
Molecular Formula
C₅H₂F₄N₂
Molecular Mass
166.0763928
Exact Mass
166.01541095
Charge
0
InChI
InChI=1S/C5H2F4N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)
InChIKey
PLVFNMQHMRRBAA-UHFFFAOYSA-N
Canonic Smiles
Fc1nc(F)c(c(c1F)N)F
Isomeric Smiles
c1(c(nc(c(c1N)F)F)F)F
Calculated Properties
JChem
Acid pKa
16.991476
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2853165
LogD (pH = 7.4)
1.2853165
Log P
1.2853165
Molar Refractivity
31.4965
Polarizability
10.054888
Polar Surface Area
38.91
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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