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486-99-7

486-99-7 structural image
Product Name: CALYCOTOMINE
Formula: C12H17NO3
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COMPUTED DESCRIPTORS

Molecular Weight 223.27 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 223.12084340 g/mol
Monoisotopic Mass 223.12084340 g/mol
Topological Polar Surface Area 50.7 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 224
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes