Molecule

ID:10209

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉F₃N₂O₂S
Molecular Mass
348.3837696
Exact Mass
348.11193352
Charge
0
InChI
InChI=1S/C15H19F3N2O2S/c16-15(17,18)11-2-1-3-14(10-11)23(21,22)20(12-4-5-12)13-6-8-19-9-7-13/h1-3,10,12-13,19H,4-9H2
InChIKey
NQBHDSLGAKITFX-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc(c1)S(=O)(=O)N(C1CC1)C1CCNCC1)(F)F
Isomeric Smiles
c1cc(cc(c1)S(=O)(=O)N(C1CCNCC1)C1CC1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2062291
LogD (pH = 7.4)
-0.51925504
Log P
2.0138
Molar Refractivity
81.3506
Polarizability
31.546698
Polar Surface Area
49.41
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
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Molecule Details
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References
Bioactivity
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