Molecule

ID:54012

General Information
Structure
MolImage
Molecular Formula
C₅H₂ClF₃N₂
Molecular Mass
182.5309896
Exact Mass
181.98586041
Charge
0
InChI
InChI=1S/C5H2ClF3N2/c6-3-1-2-10-4(11-3)5(7,8)9/h1-2H
InChIKey
OVEGSCLVOXWLIV-UHFFFAOYSA-N
Canonic Smiles
FC(c1nccc(n1)Cl)(F)F
Isomeric Smiles
n1c(nc(cc1)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4770198
LogD (pH = 7.4)
2.4770198
Log P
2.4770198
Molar Refractivity
34.223
Polarizability
12.065303
Polar Surface Area
25.78
Rotatable Bonds
1
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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