Molecule

ID:32030

General Information
Structure
MolImage
Molecular Formula
C₉H₅ClF₆
Molecular Mass
262.5794192
Exact Mass
261.99839716
Charge
0
InChI
InChI=1S/C9H5ClF6/c10-7-2-1-6(9(14,15)16)3-5(7)4-8(11,12)13/h1-3H,4H2
InChIKey
MCPYVWVVVRPGJK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1CC(F)(F)F)C(F)(F)F
Isomeric Smiles
c1(c(cc(cc1)C(F)(F)F)CC(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6032906
LogD (pH = 7.4)
4.6032906
Log P
4.6032906
Molar Refractivity
47.262
Polarizability
16.883245
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
No Data Available
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Molecule Details
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References
Bioactivity
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