Molecule

ID:94938

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)4-1-2-6(12)5(11)3-4/h1-3,12H,11H2
InChIKey
MVTRQRSNYWDWMY-UHFFFAOYSA-N
Canonic Smiles
Sc1ccc(cc1N)C(F)(F)F
Isomeric Smiles
FC(c1cc(c(cc1)S)N)(F)F
Calculated Properties
JChem
Acid pKa
5.296584
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.7850434
LogD (pH = 7.4)
0.7803271
Log P
2.0763469
Molar Refractivity
44.7419
Polarizability
15.681809
Polar Surface Area
26.02
Rotatable Bonds
1
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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