Molecule

ID:40158

General Information
Structure
MolImage
Molecular Formula
C₁₅H₆F₅NO₃S
Molecular Mass
375.270056
Exact Mass
374.99885516
Charge
0
InChI
InChI=1S/C15H6F5NO3S/c16-9-10(17)12(19)15(13(20)11(9)18)24-25(22,23)8-5-1-3-7-4-2-6-21-14(7)8/h1-6H
InChIKey
VUDKWKNQJWYVOJ-UHFFFAOYSA-N
Canonic Smiles
Fc1c(OS(=O)(=O)c2cccc3c2nccc3)c(F)c(c(c1F)F)F
Isomeric Smiles
S(=O)(=O)(c1c2ncccc2ccc1)Oc1c(c(c(c(c1F)F)F)F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.061168
LogD (pH = 7.4)
4.061235
Log P
4.061236
Molar Refractivity
75.9437
Polarizability
30.127687
Polar Surface Area
56.26
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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