Molecule
ID:12148
General Information
Molecular Formula
C₃HCl₃F₄
Molecular Mass
219.3926528
Exact Mass
217.90799595
Charge
0
InChI
InChI=1S/C3HCl3F4/c4-1(2(5,6)7)3(8,9)10/h1H
InChIKey
WFHFXEYKXJKYMG-UHFFFAOYSA-N
Canonic Smiles
ClC(C(Cl)(Cl)F)C(F)(F)F
Isomeric Smiles
C(C(C(F)(F)F)Cl)(Cl)(Cl)F
Calculated Properties
JChem
Acid pKa
17.119446
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2193475
LogD (pH = 7.4)
3.2193475
Log P
3.2193475
Molar Refractivity
31.5523
Polarizability
11.970508
Polar Surface Area
0.0
Rotatable Bonds
2
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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