Molecule

ID:32072

General Information
Structure
Molecular Formula
C₆H₃ClF₃NO₂S
Molecular Mass
245.6067296
Exact Mass
244.95251168
Charge
0
InChI
InChI=1S/C6H3ClF3NO2S/c7-14(12,13)4-1-2-5(11-3-4)6(8,9)10/h1-3H
InChIKey
NSGLNIQAWVNZFB-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cn1)S(=O)(=O)Cl)(F)F
Isomeric Smiles
c1c(ccc(n1)C(F)(F)F)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9655752
LogD (pH = 7.4)
1.9655752
Log P
1.9655752
Molar Refractivity
43.697
Polarizability
17.110054
Polar Surface Area
47.03
Rotatable Bonds
2
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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