Molecule

ID:10316

General Information
Structure
MolImage
Molecular Formula
C₈H₆F₃NO₂S
Molecular Mass
237.1989496
Exact Mass
237.0071341
Charge
0
InChI
InChI=1S/C8H6F3NO2S/c1-15-7-3-2-5(8(9,10)11)4-6(7)12(13)14/h2-4H,1H3
InChIKey
OEOKNZHWNVTEMR-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Isomeric Smiles
c1c(c(cc(c1)C(F)(F)F)[N+](=O)[O-])SC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4192955
LogD (pH = 7.4)
3.4192955
Log P
3.4192955
Molar Refractivity
52.1153
Polarizability
18.428804
Polar Surface Area
45.82
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
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Molecule Details
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References
Bioactivity
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