Molecule

ID:97293

General Information
Structure
Molecular Formula
C₇H₃Cl₂F₃O₂S
Molecular Mass
279.0637296
Exact Mass
277.91829036
Charge
0
InChI
InChI=1S/C7H3Cl2F3O2S/c8-4-1-2-6(15(9,13)14)5(3-4)7(10,11)12/h1-3H
InChIKey
DQKPVVIVMURTDM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(F)(F)F)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1c(cc(cc1)Cl)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.401442
LogD (pH = 7.4)
3.401442
Log P
3.401442
Molar Refractivity
51.0307
Polarizability
19.870594
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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