Molecule

ID:61564

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₆NO₃S
Molecular Mass
295.1590392
Exact Mass
294.97378328
Charge
0
InChI
InChI=1S/C7H3F6NO3S/c8-6(9,10)5-2-1-4(3-14-5)17-18(15,16)7(11,12)13/h1-3H
InChIKey
YXTDRVFQMVNSGJ-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cn1)OS(=O)(=O)C(F)(F)F)(F)F
Isomeric Smiles
S(=O)(=O)(C(F)(F)F)Oc1cnc(C(F)(F)F)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.229982
LogD (pH = 7.4)
3.2299826
Log P
3.2299826
Molar Refractivity
44.6866
Polarizability
17.707483
Polar Surface Area
56.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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