Molecule

ID:100799

General Information
Structure
Molecular Formula
C₁₁H₅F₄NO₂S
Molecular Mass
291.2215128
Exact Mass
290.99771229
Charge
0
InChI
InChI=1S/C11H5F4NO2S/c12-7-9(8(13)11(15)16-10(7)14)19(17,18)6-4-2-1-3-5-6/h1-5H
InChIKey
HZNNNQUIKJUUOW-UHFFFAOYSA-N
Canonic Smiles
Fc1nc(F)c(c(c1F)S(=O)(=O)c1ccccc1)F
Isomeric Smiles
n1c(c(c(c(c1F)F)S(=O)(=O)c1ccccc1)F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.069077
LogD (pH = 7.4)
3.069077
Log P
3.069077
Molar Refractivity
60.3283
Polarizability
22.625372
Polar Surface Area
47.03
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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