Molecule

ID:96992

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrClFO₂S
Molecular Mass
273.5072232
Exact Mass
271.87096824
Charge
0
InChI
InChI=1S/C6H3BrClFO2S/c7-6-4(9)2-1-3-5(6)12(8,10)11/h1-3H
InChIKey
YZXLEQLNBFIGRR-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1Br)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1c(c(ccc1)F)Br)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8310034
LogD (pH = 7.4)
2.8310034
Log P
2.8310034
Molar Refractivity
48.0914
Polarizability
19.326801
Polar Surface Area
34.14
Rotatable Bonds
1
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