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76953-85-0

76953-85-0 structural image
Product Name: (+-)-N-(3,4,4a,5-Tetrahydro-1H-(1,3)-thiazino(3,4-a)indol-1-ylidene)-5 -isoquinolinamine
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COMPUTED DESCRIPTORS

Molecular Weight 331.4 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 331.11431873 g/mol
Monoisotopic Mass 331.11431873 g/mol
Topological Polar Surface Area 53.8 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 493
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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