Molecule

ID:41751

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClF₃NO₂S
Molecular Mass
259.6333096
Exact Mass
258.96816175
Charge
0
InChI
InChI=1S/C7H5ClF3NO2S/c1-2-14-5(13)3-4(7(9,10)11)12-6(8)15-3/h2H2,1H3
InChIKey
RLZUPBSTNNZDDH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc(nc1C(F)(F)F)Cl
Isomeric Smiles
c1(sc(nc1C(F)(F)F)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3024762
LogD (pH = 7.4)
3.3024762
Log P
3.3024762
Molar Refractivity
48.452
Polarizability
18.12698
Polar Surface Area
39.19
Rotatable Bonds
4
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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