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69063-86-1

69063-86-1 structural image
Product Name: Cafergot
Formula: 2C33H35N5O5.C8H10N4O2.C4H6O6
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COMPUTED DESCRIPTORS

Molecular Weight 909.9 g/mol
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 7
Exact Mass 909.36571810 g/mol
Monoisotopic Mass 909.36571810 g/mol
Topological Polar Surface Area 272 Ų
Heavy Atom Count 66
Formal Charge 0
Complexity 1600
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 3
Compound Is Canonicalized Yes