Molecule

ID:54214

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClF₃NO₂S
Molecular Mass
285.6705896
Exact Mass
284.98381181
Charge
0
InChI
InChI=1S/C9H7ClF3NO2S/c1-16-8(15)4-17-7-3-5(9(11,12)13)2-6(10)14-7/h2-3H,4H2,1H3
InChIKey
WNESOBJZQALPFO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CSc1nc(Cl)cc(c1)C(F)(F)F
Isomeric Smiles
c1c(nc(cc1C(F)(F)F)SCC(=O)OC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9928617
LogD (pH = 7.4)
2.9928617
Log P
2.9928617
Molar Refractivity
59.8146
Polarizability
22.152285
Polar Surface Area
39.19
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
Molecule Details
References
Bioactivity
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