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Homecas1599432-18-4

1599432-18-4

1599432-18-4 structural image
Product Name: Ibrutinib-biotin
Formula: C56H80N12O9S
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COMPUTED DESCRIPTORS

Molecular Weight 1097.4 g/mol
XLogP3 3
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 35
Exact Mass 1096.58919335 g/mol
Monoisotopic Mass 1096.58919335 g/mol
Topological Polar Surface Area 284 Ų
Heavy Atom Count 78
Formal Charge 0
Complexity 1830
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes