Molecule

ID:32022

General Information
Structure
MolImage
Molecular Formula
C₇H₂Cl₃F₃
Molecular Mass
249.4449896
Exact Mass
247.91741776
Charge
0
InChI
InChI=1S/C7H2Cl3F3/c8-3-1-4(7(11,12)13)6(10)5(9)2-3/h1-2H
InChIKey
DWINLAQYHFBGKE-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)C(F)(F)F)Cl
Isomeric Smiles
C(c1c(c(cc(c1)Cl)Cl)Cl)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6632285
LogD (pH = 7.4)
4.6632285
Log P
4.6632285
Molar Refractivity
46.4461
Polarizability
17.541296
Polar Surface Area
0.0
Rotatable Bonds
1
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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