Molecule

ID:95909

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₃NS
Molecular Mass
193.1894496
Exact Mass
193.01730486
Charge
0
InChI
InChI=1S/C7H6F3NS/c1-12-6-3-2-5(4-11-6)7(8,9)10/h2-4H,1H3
InChIKey
ONCQHFLFXMBDPS-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(cn1)C(F)(F)F
Isomeric Smiles
n1c(ccc(c1)C(F)(F)F)SC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8557513
LogD (pH = 7.4)
2.8560922
Log P
2.8560965
Molar Refractivity
42.9472
Polarizability
15.523951
Polar Surface Area
12.89
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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