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1797879-13-0

1797879-13-0 structural image
Product Name: 5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl-4-chloro-2-nitrophenol
Formula: C19H19ClN4O3S
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COMPUTED DESCRIPTORS

Molecular Weight 418.9 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Exact Mass 418.0866393 g/mol
Monoisotopic Mass 418.0866393 g/mol
Topological Polar Surface Area 114 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 546
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