Molecule

ID:21436

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrClF₃O₂S
Molecular Mass
323.5147296
Exact Mass
321.86777468
Charge
0
InChI
InChI=1S/C7H3BrClF3O2S/c8-6-2-1-4(15(9,13)14)3-5(6)7(10,11)12/h1-3H
InChIKey
QCFIMBHKZZLZAE-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1C(F)(F)F)S(=O)(=O)Cl
Isomeric Smiles
c1c(c(cc(c1)S(=O)(=O)Cl)C(F)(F)F)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.56615
LogD (pH = 7.4)
3.56615
Log P
3.56615
Molar Refractivity
53.8487
Polarizability
21.05153
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
References
Bioactivity
Navigation