Molecule
ID:97173
General Information
Molecular Formula
C₂H₂ClF₃O₂S
Molecular Mass
182.5492896
Exact Mass
181.94161264
Charge
0
InChI
InChI=1S/C2H2ClF3O2S/c3-2(4,5)1-9(6,7)8/h1H2
InChIKey
LBNGUVWVXHFGSX-UHFFFAOYSA-N
Canonic Smiles
FC(CS(=O)(=O)F)(Cl)F
Isomeric Smiles
S(=O)(=O)(CC(Cl)(F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8314055
LogD (pH = 7.4)
0.8314055
Log P
0.8314055
Molar Refractivity
25.8769
Polarizability
10.608195
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...