Molecule

ID:94699

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₆O₃S
Molecular Mass
294.1709792
Exact Mass
293.97853431
Charge
0
InChI
InChI=1S/C8H4F6O3S/c9-7(10,11)5-2-1-3-6(4-5)17-18(15,16)8(12,13)14/h1-4H
InChIKey
RTVXJTWXYGSQAI-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc(c1)OS(=O)(=O)C(F)(F)F)(F)F
Isomeric Smiles
S(=O)(=O)(C(F)(F)F)Oc1cccc(c1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.061805
LogD (pH = 7.4)
4.061805
Log P
4.061805
Molar Refractivity
47.2155
Polarizability
18.397364
Polar Surface Area
43.37
Rotatable Bonds
4
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