Molecule
ID:93613
General Information
Molecular Formula
C₄H₄Cl₃F₃
Molecular Mass
215.4287696
Exact Mass
213.93306783
Charge
0
InChI
InChI=1S/C4H4Cl3F3/c5-2-1-3(6,7)4(8,9)10/h1-2H2
InChIKey
VLBOQTAXLMLIPO-UHFFFAOYSA-N
Canonic Smiles
ClCCC(C(F)(F)F)(Cl)Cl
Isomeric Smiles
FC(C(Cl)(CCCl)Cl)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6289113
LogD (pH = 7.4)
3.6289113
Log P
3.6289113
Molar Refractivity
35.7192
Polarizability
13.60313
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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