Molecule

ID:10403

General Information
Structure
Molecular Formula
C₆H₃ClF₂O₂S
Molecular Mass
212.6016264
Exact Mass
211.95103446
Charge
0
InChI
InChI=1S/C6H3ClF2O2S/c7-12(10,11)6-2-4(8)1-5(9)3-6/h1-3H
InChIKey
IIQKIICAOXAXEJ-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(cc(c1)F)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc(cc(c1)F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2049527
LogD (pH = 7.4)
2.2049527
Log P
2.2049527
Molar Refractivity
40.685
Polarizability
16.08287
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
References
Bioactivity
Navigation