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7257-29-6

7257-29-6 structural image
Product Name: Calebassine
Formula: C42H52N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 616.8 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 616.37772679 g/mol
Monoisotopic Mass 616.37772679 g/mol
Topological Polar Surface Area 46.9 Ų
Heavy Atom Count 46
Formal Charge 2
Complexity 1400
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 14
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes