Molecule

ID:16190

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClO₃S
Molecular Mass
206.64668
Exact Mass
205.98044276
Charge
0
InChI
InChI=1S/C7H7ClO3S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h2-5H,1H3
InChIKey
JHJKSEKUZNJKGO-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc(OC)ccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7618775
LogD (pH = 7.4)
1.7618775
Log P
1.7618775
Molar Refractivity
46.7154
Polarizability
18.95948
Polar Surface Area
43.37
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
References
Bioactivity
Navigation