Molecule

ID:94572

General Information
Structure
MolImage
Molecular Formula
C₄H₂ClF₃N₂
Molecular Mass
170.5202896
Exact Mass
169.98586041
Charge
0
InChI
InChI=1S/C4H2ClF3N2/c5-2(1-9)3(10)4(6,7)8/h10H2
InChIKey
ISDYYBUDSBPDEL-UHFFFAOYSA-N
Canonic Smiles
N#C/C(=C(/C(F)(F)F)\N)/Cl
Isomeric Smiles
FC(F)(F)/C(=C(/C#N)\Cl)/N
Calculated Properties
JChem
Acid pKa
18.801226
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5895494
LogD (pH = 7.4)
0.5895494
Log P
0.5895494
Molar Refractivity
31.2178
Polarizability
10.569883
Polar Surface Area
49.81
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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