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87913-21-1

87913-21-1 structural image
Product Name: tagetitoxin
Formula: C11H17N2O11PS
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COMPUTED DESCRIPTORS

Molecular Weight 416.30 g/mol
XLogP3 -6.9
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 6
Exact Mass 416.02906753 g/mol
Monoisotopic Mass 416.02906753 g/mol
Topological Polar Surface Area 254 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 685
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes