Molecule
ID:97315
General Information
Molecular Formula
C₇H₅F₃OS
Molecular Mass
194.1742096
Exact Mass
194.00132044
Charge
0
InChI
InChI=1S/C7H5F3OS/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4,11H
InChIKey
FRSIRCKEPOPEFZ-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)SC(F)(F)F
Isomeric Smiles
Oc1cc(ccc1)SC(F)(F)F
Calculated Properties
JChem
Acid pKa
9.324009
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.638342
LogD (pH = 7.4)
3.6332963
Log P
3.6384068
Molar Refractivity
41.0244
Polarizability
15.243262
Polar Surface Area
20.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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