Molecule

ID:94009

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈F₃NS
Molecular Mass
243.2481296
Exact Mass
243.03295492
Charge
0
InChI
InChI=1S/C11H8F3NS/c12-11(13,14)10-9(8(15)6-16-10)7-4-2-1-3-5-7/h1-6H,15H2
InChIKey
KBIPYEXWOYDDDL-UHFFFAOYSA-N
Canonic Smiles
Nc1csc(c1c1ccccc1)C(F)(F)F
Isomeric Smiles
s1cc(c(c1C(F)(F)F)c1ccccc1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5822752
LogD (pH = 7.4)
3.5822752
Log P
3.5822752
Molar Refractivity
58.7582
Polarizability
22.069145
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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