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86758-98-7

86758-98-7 structural image
Product Name: 2-(((4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinyl )imino)methyl)phenol
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COMPUTED DESCRIPTORS

Molecular Weight 450.0 g/mol
XLogP3 5.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 449.1328613 g/mol
Monoisotopic Mass 449.1328613 g/mol
Topological Polar Surface Area 64.4 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 614
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes