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1008710-16-4

1008710-16-4 structural image
Product Name: 5-(4-METHYLBENZYL)-4-OXO-1,2,3,3A,4,5-HEXAHYDROPYRROLO[1,2-A]QUINOXALINE-7-CARBONITRILE
Formula: C20H19N3O
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COMPUTED DESCRIPTORS

Molecular Weight 317.4 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 317.152812238 g/mol
Monoisotopic Mass 317.152812238 g/mol
Topological Polar Surface Area 47.3 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 530
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