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278782-55-1

278782-55-1 structural image
Product Name: 2-(4-FLUOROBENZYL)-1-OXO-3-PYRIDIN-4-YL-1,2,3,4-TETRAHYDROISOQUINOLINE-4-CARBOXYLIC ACID
Formula: C22H17FN2O3
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >56.5 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 376.4 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 376.12232057 g/mol
Monoisotopic Mass 376.12232057 g/mol
Topological Polar Surface Area 70.5 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 572
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes