Molecule

ID:101065

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClO₃S
Molecular Mass
218.65738
Exact Mass
217.98044276
Charge
0
InChI
InChI=1S/C8H7ClO3S/c9-13(10,11)7-3-1-2-6-4-5-12-8(6)7/h1-3H,4-5H2
InChIKey
UNECAYDZDLGSLP-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1cccc2c1OCC2
Isomeric Smiles
S(=O)(=O)(c1c2OCCc2ccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.801766
LogD (pH = 7.4)
1.801766
Log P
1.801766
Molar Refractivity
50.025
Polarizability
20.005156
Polar Surface Area
43.37
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