Molecule

ID:40680

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₅O₃S
Molecular Mass
262.153936
Exact Mass
261.97230606
Charge
0
InChI
InChI=1S/C7H3F5O3S/c1-16(13,14)15-7-5(11)3(9)2(8)4(10)6(7)12/h1H3
InChIKey
ARSIBVWMPYUPQT-UHFFFAOYSA-N
Canonic Smiles
Fc1c(OS(=O)(=O)C)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)OS(=O)(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7890552
LogD (pH = 7.4)
1.7890552
Log P
1.7890552
Molar Refractivity
41.8734
Polarizability
16.498486
Polar Surface Area
43.37
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