Molecule

ID:7852

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅ClF₃NO₂S
Molecular Mass
295.6654096
Exact Mass
294.96816175
Charge
0
InChI
InChI=1S/C10H5ClF3NO2S/c1-17-9(16)8-7-4(3-18-8)5(11)2-6(15-7)10(12,13)14/h2-3H,1H3
InChIKey
SVZOEAIMNWEEBS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1scc2c1nc(cc2Cl)C(F)(F)F
Isomeric Smiles
c1c(nc2c(c1Cl)csc2C(=O)OC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9150023
LogD (pH = 7.4)
3.9150023
Log P
3.9150023
Molar Refractivity
59.301
Polarizability
23.309896
Polar Surface Area
39.19
Rotatable Bonds
3
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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