Molecule

ID:98128

General Information
Structure
MolImage
Molecular Formula
C₂ClF₅O₂S
Molecular Mass
218.530216
Exact Mass
217.92276902
Charge
0
InChI
InChI=1S/C2ClF5O2S/c3-11(9,10)2(7,8)1(4,5)6
InChIKey
VQHMMOSXFHZLPI-UHFFFAOYSA-N
Canonic Smiles
FC(S(=O)(=O)Cl)(C(F)(F)F)F
Isomeric Smiles
S(=O)(=O)(Cl)C(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9913679
LogD (pH = 7.4)
1.9913679
Log P
1.9913679
Molar Refractivity
26.5426
Polarizability
10.832361
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
暂无数据
点击上传数据
References
Bioactivity
Navigation