Molecule

ID:95195

General Information
Structure
MolImage
Molecular Formula
C₉H₅ClF₆
Molecular Mass
262.5794192
Exact Mass
261.99839716
Charge
0
InChI
InChI=1S/C9H5ClF6/c10-4-5-1-2-6(8(11,12)13)3-7(5)9(14,15)16/h1-3H,4H2
InChIKey
DPKQSESRNWBUFZ-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1C(F)(F)F)C(F)(F)F
Isomeric Smiles
FC(c1c(ccc(c1)C(F)(F)F)CCl)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.316185
LogD (pH = 7.4)
4.316185
Log P
4.316185
Molar Refractivity
47.8723
Polarizability
16.894018
Polar Surface Area
0.0
Rotatable Bonds
3
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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