Molecule

ID:39724

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀F₃NO₂S
Molecular Mass
301.2842096
Exact Mass
301.03843423
Charge
0
InChI
InChI=1S/C13H10F3NO2S/c1-2-19-12(18)10-7-20-11(17-10)8-4-3-5-9(6-8)13(14,15)16/h3-7H,2H2,1H3
InChIKey
ZPJJUAUWQRNPQZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1csc(n1)c1cccc(c1)C(F)(F)F
Isomeric Smiles
c1cc(cc(c1)c1scc(n1)C(=O)OCC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.080792
LogD (pH = 7.4)
4.0807924
Log P
4.0807924
Molar Refractivity
78.7436
Polarizability
25.852541
Polar Surface Area
39.19
Rotatable Bonds
5
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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