Molecule

ID:99567

General Information
Structure
MolImage
Molecular Formula
C₂H₂ClF₃O₂S
Molecular Mass
182.5492896
Exact Mass
181.94161264
Charge
0
InChI
InChI=1S/C2H2ClF3O2S/c3-9(7,8)1-2(4,5)6/h1H2
InChIKey
CXCHEKCRJQRVNG-UHFFFAOYSA-N
Canonic Smiles
FC(CS(=O)(=O)Cl)(F)F
Isomeric Smiles
S(=O)(=O)(CC(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9123082
LogD (pH = 7.4)
0.9123082
Log P
0.9123082
Molar Refractivity
25.6771
Polarizability
10.631486
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation