Molecule

ID:94020

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClF₃S
Molecular Mass
226.6464496
Exact Mass
225.98308353
Charge
0
InChI
InChI=1S/C8H6ClF3S/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
InChIKey
BEWDYNRVCARDOP-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)SC(F)(F)F
Isomeric Smiles
ClCc1ccc(cc1)SC(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.529214
LogD (pH = 7.4)
4.529214
Log P
4.529214
Molar Refractivity
48.9104
Polarizability
18.271938
Polar Surface Area
0.0
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
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References
Bioactivity
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