Molecule

ID:29890

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClF₄N
Molecular Mass
229.6024328
Exact Mass
229.02813982
Charge
0
InChI
InChI=1S/C8H7F4N.ClH/c9-6-3-1-5(2-4-6)7(13)8(10,11)12;/h1-4,7H,13H2;1H
InChIKey
BMJQOPDJQFLGFV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(C(F)(F)F)N.Cl
Isomeric Smiles
NC(C(F)(F)F)c1ccc(cc1)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1791217
LogD (pH = 7.4)
2.2555132
Log P
2.2565794
Molar Refractivity
39.8681
Polarizability
14.6835375
Polar Surface Area
26.02
Rotatable Bonds
2
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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