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859112-01-9

859112-01-9 structural image
Product Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-2-oxochromen-6-olate
Formula: C21H21FN2O3
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COMPUTED DESCRIPTORS

Molecular Weight 368.4 g/mol
XLogP3 3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 368.15362070 g/mol
Monoisotopic Mass 368.15362070 g/mol
Topological Polar Surface Area 53 Ų
Heavy Atom Count 27
Formal Charge 0
Complexity 568
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