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1246819-53-3

1246819-53-3 structural image
Product Name: 11-(1-Piperazinyl-d8)-dibenzo[b,f][1,4]thiazepin-7-ol
Formula: C17H9D8N3OS
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COMPUTED DESCRIPTORS

Molecular Weight 319.5 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 319.15944732 g/mol
Monoisotopic Mass 319.15944732 g/mol
Topological Polar Surface Area 73.2 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 424
Isotope Atom Count 8
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