Molecule

ID:97722

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClF₃NO₂S
Molecular Mass
299.6971696
Exact Mass
298.99946187
Charge
0
InChI
InChI=1S/C10H9ClF3NO2S/c1-2-17-8(16)5-18-9-7(11)3-6(4-15-9)10(12,13)14/h3-4H,2,5H2,1H3
InChIKey
UDKFFMRSQQNXBU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CSc1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
n1c(c(cc(c1)C(F)(F)F)Cl)SCC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.129486
LogD (pH = 7.4)
3.1294925
Log P
3.1294928
Molar Refractivity
63.5019
Polarizability
23.909472
Polar Surface Area
39.19
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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