Molecule

ID:98781

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₃NOS
Molecular Mass
195.1622696
Exact Mass
194.99656941
Charge
0
InChI
InChI=1S/C6H4F3NOS/c1-3-10-5(6(7,8)9)4(2-11)12-3/h2H,1H3
InChIKey
FBQFBBGXQZDOQV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc(nc1C(F)(F)F)C
Isomeric Smiles
s1c(c(C(F)(F)F)nc1C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8637433
LogD (pH = 7.4)
1.8637439
Log P
1.8637439
Molar Refractivity
37.6769
Polarizability
13.373043
Polar Surface Area
29.96
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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