Molecule

ID:53965

General Information
Structure
MolImage
Molecular Formula
C₆H₅Cl₂NO₂S
Molecular Mass
226.0804
Exact Mass
224.94180477
Charge
0
InChI
InChI=1S/C6H5Cl2NO2S/c1-4-2-5(12(8,10)11)6(7)9-3-4/h2-3H,1H3
InChIKey
BVVCMKNJSMDRPV-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(c(c1)S(=O)(=O)Cl)Cl
Isomeric Smiles
S(=O)(=O)(c1c(ncc(c1)C)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0395195
LogD (pH = 7.4)
2.0395195
Log P
2.0395195
Molar Refractivity
49.0026
Polarizability
19.366621
Polar Surface Area
47.03
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