860785-63-3
Product Name:
2,2,2-TRIFLUORO-1-[1-(2-FLUOROBENZYL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]-1-ETHANONE
Formula:
C16H10F4N2O
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | 2.8 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
Molecular Weight | 322.26 g/mol |
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XLogP3 | 3.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 3 |
Exact Mass | 322.07292560 g/mol |
Monoisotopic Mass | 322.07292560 g/mol |
Topological Polar Surface Area | 34.9 Ų |
Heavy Atom Count | 23 |
Formal Charge | 0 |
Complexity | 442 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |