Molecule

ID:98177

General Information
Structure
MolImage
Molecular Formula
C₉H₆F₆O₃S
Molecular Mass
308.1975592
Exact Mass
307.99418437
Charge
0
InChI
InChI=1S/C9H6F6O3S/c10-8(11,12)18-7-4-2-1-3-6(7)5-19(16,17)9(13,14)15/h1-4H,5H2
InChIKey
HIAONSTWHRDSLD-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccccc1CS(=O)(=O)C(F)(F)F)(F)F
Isomeric Smiles
S(=O)(=O)(C(F)(F)F)Cc1c(cccc1)OC(F)(F)F
Calculated Properties
JChem
Acid pKa
17.758724
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.115213
LogD (pH = 7.4)
4.115213
Log P
4.115213
Molar Refractivity
47.9629
Polarizability
20.14626
Polar Surface Area
43.37
Rotatable Bonds
5
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