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181530-09-6

181530-09-6 structural image
Product Name: Zinquin Ethyl Ester
Formula: C21H22N2O5S
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COMPUTED DESCRIPTORS

Molecular Weight 414.5 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 8
Exact Mass 414.12494298 g/mol
Monoisotopic Mass 414.12494298 g/mol
Topological Polar Surface Area 103 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 642
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes