Molecule

ID:97985

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂FO₂S
Molecular Mass
243.0828032
Exact Mass
241.93713398
Charge
0
InChI
InChI=1S/C7H5Cl2FO2S/c8-6-2-1-3-7(10)5(6)4-13(9,11)12/h1-3H,4H2
InChIKey
VFDXEVWUTIVWCR-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1CS(=O)(=O)Cl)Cl
Isomeric Smiles
S(=O)(=O)(Cc1c(cccc1F)Cl)Cl
Calculated Properties
JChem
Acid pKa
16.109184
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4284317
LogD (pH = 7.4)
2.4284317
Log P
2.4284317
Molar Refractivity
49.8608
Polarizability
20.034071
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
暂无数据
点击上传数据
References
Bioactivity
Navigation