Molecule

ID:8192

General Information
Structure
Molecular Formula
C₆H₂ClF₃O₂S
Molecular Mass
230.5920896
Exact Mass
229.94161264
Charge
0
InChI
InChI=1S/C6H2ClF3O2S/c7-13(11,12)4-2-1-3(8)5(9)6(4)10/h1-2H
InChIKey
XFTDZYFHXRZLEF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1F)F)S(=O)(=O)Cl
Isomeric Smiles
c1cc(c(c(c1S(=O)(=O)Cl)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3476546
LogD (pH = 7.4)
2.3476546
Log P
2.3476546
Molar Refractivity
40.9014
Polarizability
16.006704
Polar Surface Area
34.14
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
References
Bioactivity
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