Molecule

ID:9055

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClF₂O₂S
Molecular Mass
212.6016264
Exact Mass
211.95103446
Charge
0
InChI
InChI=1S/C6H3ClF2O2S/c7-12(10,11)4-1-2-5(8)6(9)3-4/h1-3H
InChIKey
FSGLUBQENACWCC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1F)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc(c(cc1)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
16.080168
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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