Molecule

ID:99941

General Information
Structure
MolImage
Molecular Formula
C₉H₅ClF₆
Molecular Mass
262.5794192
Exact Mass
261.99839716
Charge
0
InChI
InChI=1S/C9H5ClF6/c10-7(8(11,12)13,9(14,15)16)6-4-2-1-3-5-6/h1-5H
InChIKey
DGTQQDMGYPZUIN-UHFFFAOYSA-N
Canonic Smiles
ClC(C(F)(F)F)(C(F)(F)F)c1ccccc1
Isomeric Smiles
ClC(c1ccccc1)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.454216
LogD (pH = 7.4)
4.454216
Log P
4.454216
Molar Refractivity
46.3849
Polarizability
16.925947
Polar Surface Area
0.0
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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