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86758-91-0

86758-91-0 structural image
Product Name: 1-Piperazinamine, 4-(2,8-dichloro-10,11-dihydrodibenzo(b,f)thiepin-10- yl)-N-(phenylmethylene)-
Formula: C25H23Cl2N3S
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COMPUTED DESCRIPTORS

Molecular Weight 468.4 g/mol
XLogP3 6.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 467.0989743 g/mol
Monoisotopic Mass 467.0989743 g/mol
Topological Polar Surface Area 44.1 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 606
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