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1260603-31-3

1260603-31-3 structural image
Product Name: AceMetacin-acyl-β-D-glucuronide
Formula: C27H26ClNO12
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COMPUTED DESCRIPTORS

Molecular Weight 591.9 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 10
Exact Mass 591.1143530 g/mol
Monoisotopic Mass 591.1143530 g/mol
Topological Polar Surface Area 191 Ų
Heavy Atom Count 41
Formal Charge 0
Complexity 974
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes