Molecule

ID:32572

General Information
Structure
MolImage
Molecular Formula
C₅H₂ClF₃N₂
Molecular Mass
182.5309896
Exact Mass
181.98586041
Charge
0
InChI
InChI=1S/C5H2ClF3N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)
InChIKey
IJGMBUFHHBUVNG-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)nc(c(c1N)Cl)F
Isomeric Smiles
c1(c(c(c(c(n1)F)F)N)Cl)F
Calculated Properties
JChem
Acid pKa
18.637997
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7466593
LogD (pH = 7.4)
1.7466593
Log P
1.7466593
Molar Refractivity
36.0849
Polarizability
12.117098
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation