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171489-03-5

171489-03-5 structural image
Product Name: (6R,trans)-6-(3,4-dihydroxyphenyl)-2,3,6,7,12,12a-hexahydro-2-Methyl-pyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Formula: C21H19N3O4
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COMPUTED DESCRIPTORS

Molecular Weight 377.4 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 377.13755610 g/mol
Monoisotopic Mass 377.13755610 g/mol
Topological Polar Surface Area 96.9 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 658
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes