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4780-24-9

4780-24-9 structural image
Product Name: Isopropicillin
Formula: C18H22N2O5S
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COMPUTED DESCRIPTORS

Molecular Weight 378.4 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 378.12494298 g/mol
Monoisotopic Mass 378.12494298 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 615
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes