Molecule

ID:100733

General Information
Structure
Molecular Formula
C₁₁H₅ClF₃NOS
Molecular Mass
291.6767096
Exact Mass
290.97324713
Charge
0
InChI
InChI=1S/C11H5ClF3NOS/c12-9(17)8-5-18-10(16-8)6-1-3-7(4-2-6)11(13,14)15/h1-5H
InChIKey
UTJDFPDNFUKZIS-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1csc(n1)c1ccc(cc1)C(F)(F)F
Isomeric Smiles
n1c(c2ccc(cc2)C(F)(F)F)scc1C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1114182
LogD (pH = 7.4)
4.11142
Log P
4.11142
Molar Refractivity
73.0844
Polarizability
23.446709
Polar Surface Area
29.96
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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