Molecule

ID:13857

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₃NS
Molecular Mass
193.1894496
Exact Mass
193.01730486
Charge
0
InChI
InChI=1S/C7H6F3NS/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4H,11H2
InChIKey
HIPLFBJHUALLRK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1SC(F)(F)F
Isomeric Smiles
c1(c(cccc1)N)SC(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.112715
LogD (pH = 7.4)
3.1130419
Log P
3.1130462
Molar Refractivity
43.7439
Polarizability
15.713165
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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