Molecule

ID:48370

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClF₃N₂
Molecular Mass
224.6107296
Exact Mass
224.03281061
Charge
0
InChI
InChI=1S/C8H8ClF3N2/c1-14(2)7-6(9)3-5(4-13-7)8(10,11)12/h3-4H,1-2H3
InChIKey
RXUQWDZDFAFXSS-UHFFFAOYSA-N
Canonic Smiles
CN(c1ncc(cc1Cl)C(F)(F)F)C
Isomeric Smiles
C(c1cc(c(nc1)N(C)C)Cl)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.934575
LogD (pH = 7.4)
2.9398997
Log P
2.9399679
Molar Refractivity
49.4217
Polarizability
17.472645
Polar Surface Area
16.13
Rotatable Bonds
2
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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