Molecule

ID:22591

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉FN₂O₂S
Molecular Mass
334.4083632
Exact Mass
334.11512708
Charge
0
InChI
InChI=1S/C17H19FN2O2S/c18-16-13-15(23(21,22)14-5-2-1-3-6-14)7-8-17(16)20-11-4-9-19-10-12-20/h1-3,5-8,13,19H,4,9-12H2
InChIKey
ZIOMGFOZWAEJIJ-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(ccc1N1CCNCCC1)S(=O)(=O)c1ccccc1
Isomeric Smiles
N1(CCNCCC1)c1c(cc(cc1)S(=O)(=O)c1ccccc1)F
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.44639534
LogD (pH = 7.4)
0.75564444
Log P
2.7028577
Molar Refractivity
89.856
Polarizability
35.187695
Polar Surface Area
49.41
Rotatable Bonds
3
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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