Molecule

ID:98554

General Information
Structure
Molecular Formula
C₆H₃ClF₆
Molecular Mass
224.5314392
Exact Mass
223.9827471
Charge
0
InChI
InChI=1S/C6H3ClF6/c7-4(6(11,12)13)2-1-3-5(8,9)10/h1-3H
InChIKey
SJCYCPLWJASEGY-UHFFFAOYSA-N
Canonic Smiles
Cl/C(=C\C=C\C(F)(F)F)/C(F)(F)F
Isomeric Smiles
FC(/C=C/C=C(/C(F)(F)F)\Cl)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.372912
LogD (pH = 7.4)
3.372912
Log P
3.372912
Molar Refractivity
38.2226
Polarizability
12.69912
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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