Molecule

ID:9336

General Information
Structure
MolImage
Molecular Formula
C₈H₄ClF₃OS
Molecular Mass
240.6299696
Exact Mass
239.96234809
Charge
0
InChI
InChI=1S/C8H4ClF3OS/c9-7(13)5-1-3-6(4-2-5)14-8(10,11)12/h1-4H
InChIKey
BCMFTOCCLOAGBP-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(cc1)SC(F)(F)F
Isomeric Smiles
c1c(ccc(c1)C(=O)Cl)SC(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1328845
LogD (pH = 7.4)
4.1328845
Log P
4.1328845
Molar Refractivity
50.1582
Polarizability
18.48823
Polar Surface Area
17.07
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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