Molecule

ID:77243

General Information
Structure
Molecular Formula
C₉H₆Cl₂O₂S
Molecular Mass
249.11374
Exact Mass
247.94655579
Charge
0
InChI
InChI=1S/C9H6Cl2O2S/c1-5-8(11)6-3-2-4-7(10)9(6)14(5,12)13/h2-4H,1H3
InChIKey
IEPOXBQRPQTKBR-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc2c1S(=O)(=O)C(=C2Cl)C
Isomeric Smiles
S1(=O)(=O)c2c(cccc2Cl)C(=C1C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2351367
LogD (pH = 7.4)
2.2351367
Log P
2.2351367
Molar Refractivity
58.5554
Polarizability
22.905918
Polar Surface Area
34.14
Rotatable Bonds
0
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