Molecule

ID:99202

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀F₃NO₂S
Molecular Mass
301.2842096
Exact Mass
301.03843423
Charge
0
InChI
InChI=1S/C13H10F3NO2S/c1-19-12(18)10-9(17)8(7-5-3-2-4-6-7)11(20-10)13(14,15)16/h2-6H,17H2,1H3
InChIKey
FYUVISRLFPIWPP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc(c(c1N)c1ccccc1)C(F)(F)F
Isomeric Smiles
s1c(c(c2ccccc2)c(c1C(=O)OC)N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.3681912
LogD (pH = 7.4)
4.3681912
Log P
4.3681912
Molar Refractivity
70.5676
Polarizability
26.615639
Polar Surface Area
52.32
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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