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936233-02-2

936233-02-2 structural image
Product Name: (S) 5-(3-Isopropyl-piperazine-1-sulfonyl)-isoquinoline dihydrochloride
Formula: C16H23Cl2N3O2S
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COMPUTED DESCRIPTORS

Molecular Weight 392.3 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 391.0888035 g/mol
Monoisotopic Mass 391.0888035 g/mol
Topological Polar Surface Area 70.7 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 474
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 3
Compound Is Canonicalized Yes