Molecule

ID:7842

General Information
Structure
MolImage
Molecular Formula
C₄H₄Cl₃F₃
Molecular Mass
215.4287696
Exact Mass
213.93306783
Charge
0
InChI
InChI=1S/C4H4Cl3F3/c5-2-1-3(6,8)4(7,9)10/h1-2H2
InChIKey
UTSMKNWCCZMNHL-UHFFFAOYSA-N
Canonic Smiles
ClCCC(C(Cl)(F)F)(Cl)F
Isomeric Smiles
C(C(CCCl)(Cl)F)(Cl)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4021707
LogD (pH = 7.4)
3.4021707
Log P
3.4021707
Molar Refractivity
35.6355
Polarizability
13.611957
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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