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81396-93-2

81396-93-2 structural image
Product Name: 6-Methyl-N-(1-methylethyl)-N-(((1-methylethyl)amino)carbonyl)ergoline- 8-carboxamide
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COMPUTED DESCRIPTORS

Molecular Weight 396.5 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 396.25252628 g/mol
Monoisotopic Mass 396.25252628 g/mol
Topological Polar Surface Area 68.4 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 636
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes