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79675-58-4

79675-58-4 structural image
Product Name: 6-Propyl-8-((3-buten-2-one)-4-oxymethyl)ergoline
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COMPUTED DESCRIPTORS

Molecular Weight 352.5 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 352.215078140 g/mol
Monoisotopic Mass 352.215078140 g/mol
Topological Polar Surface Area 45.3 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 534
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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