Molecule

ID:8971

General Information
Structure
Molecular Formula
C₇H₂Cl₃F₃O₂S
Molecular Mass
313.5087896
Exact Mass
311.879318
Charge
0
InChI
InChI=1S/C7H2Cl3F3O2S/c8-4-1-3(7(11,12)13)2-5(9)6(4)16(10,14)15/h1-2H
InChIKey
MRGIKDMKHORAMU-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cc(c1S(=O)(=O)Cl)Cl)C(F)(F)F
Isomeric Smiles
c1(cc(cc(c1S(=O)(=O)Cl)Cl)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0054865
LogD (pH = 7.4)
4.0054865
Log P
4.0054865
Molar Refractivity
55.8355
Polarizability
21.93281
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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