Molecule

ID:22217

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClFO₂S
Molecular Mass
208.6377432
Exact Mass
207.97610633
Charge
0
InChI
InChI=1S/C7H6ClFO2S/c8-12(10,11)5-6-1-3-7(9)4-2-6/h1-4H,5H2
InChIKey
UUQGWVIRPCRTSA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CS(=O)(=O)Cl
Isomeric Smiles
C(c1ccc(cc1)F)S(=O)(=O)Cl
Calculated Properties
JChem
Acid pKa
18.76766
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8243871
LogD (pH = 7.4)
1.8243871
Log P
1.8243871
Molar Refractivity
45.056
Polarizability
18.05224
Polar Surface Area
34.14
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