Molecule

ID:100258

General Information
Structure
MolImage
Molecular Formula
C₁₆H₆F₅NO₂S
Molecular Mass
371.281356
Exact Mass
371.00394054
Charge
0
InChI
InChI=1S/C16H6F5NO2S/c17-10-11(18)13(20)15(14(21)12(10)19)24-16(23)7-3-4-8(22-6-7)9-2-1-5-25-9/h1-6H
InChIKey
UYAXHNWJTLZXTM-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(nc1)c1cccs1)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
n1cc(ccc1c1cccs1)C(=O)Oc1c(c(c(c(c1F)F)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.940692
LogD (pH = 7.4)
4.9407415
Log P
4.940742
Molar Refractivity
78.4401
Polarizability
29.958551
Polar Surface Area
39.19
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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