Molecule

ID:29783

General Information
Structure
MolImage
Molecular Formula
C₇HClF₆
Molecular Mass
234.5262592
Exact Mass
233.96709703
Charge
0
InChI
InChI=1S/C7HClF6/c8-4-5(10)2(7(12,13)14)1-3(9)6(4)11/h1H
InChIKey
RAWDTHWCIDAUPV-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(c(c(c1F)Cl)F)C(F)(F)F
Isomeric Smiles
C(c1c(c(c(c(c1)F)F)Cl)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8832448
LogD (pH = 7.4)
3.8832448
Log P
3.8832448
Molar Refractivity
37.4857
Polarizability
13.475323
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
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Molecule Details
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References
Bioactivity
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