Molecule

ID:9320

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClF₃O₂S
Molecular Mass
244.6186696
Exact Mass
243.95726271
Charge
0
InChI
InChI=1S/C7H4ClF3O2S/c8-14(12,13)6-3-1-2-5(4-6)7(9,10)11/h1-4H
InChIKey
ONCAZCNPWWQQMW-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc(c1)S(=O)(=O)Cl)(F)F
Isomeric Smiles
c1cc(cc(c1)S(=O)(=O)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7973974
LogD (pH = 7.4)
2.7973974
Log P
2.7973974
Molar Refractivity
46.2259
Polarizability
17.851067
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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