Molecule

ID:96207

General Information
Structure
MolImage
Molecular Formula
C₁₂H₄Cl₂F₁₂
Molecular Mass
447.0469984
Exact Mass
445.94984413
Charge
0
InChI
InChI=1S/C12H4Cl2F12/c13-7(9(15,16)17,10(18,19)20)5-1-2-6(4-3-5)8(14,11(21,22)23)12(24,25)26/h1-4H
InChIKey
XRHPFOONVSUEOY-UHFFFAOYSA-N
Canonic Smiles
ClC(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)Cl
Isomeric Smiles
ClC(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)Cl)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.9351864
LogD (pH = 7.4)
6.9351864
Log P
6.9351864
Molar Refractivity
66.7118
Polarizability
24.386229
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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