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1357-76-2

1357-76-2 structural image
Product Name: ignavine
Formula: C27H31NO5
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COMPUTED DESCRIPTORS

Molecular Weight 449.5 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 449.22022309 g/mol
Monoisotopic Mass 449.22022309 g/mol
Topological Polar Surface Area 90.2 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 978
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes