Molecule

ID:54006

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClF₃N₂
Molecular Mass
224.6107296
Exact Mass
224.03281061
Charge
0
InChI
InChI=1S/C8H8ClF3N2/c1-14(2)7-4-5(8(10,11)12)3-6(9)13-7/h3-4H,1-2H3
InChIKey
OKEZJJABVTWCBK-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(cc(c1)C(F)(F)F)N(C)C
Isomeric Smiles
c1c(nc(cc1C(F)(F)F)N(C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.159881
LogD (pH = 7.4)
3.1601417
Log P
3.160145
Molar Refractivity
50.483
Polarizability
17.509525
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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