Molecule

ID:14385

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClO₂S
Molecular Mass
216.68456
Exact Mass
216.00117821
Charge
0
InChI
InChI=1S/C9H9ClO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2
InChIKey
SWLIXMXSCZYVTQ-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc2c(c1)CCC2
Isomeric Smiles
c12c(ccc(c1)S(=O)(=O)Cl)CCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9272344
LogD (pH = 7.4)
2.9272344
Log P
2.9272344
Molar Refractivity
53.1334
Polarizability
21.026382
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