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43093-01-2

43093-01-2 structural image
Product Name: 6-(p-Nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide
Formula: C18H12N2O4S
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COMPUTED DESCRIPTORS

Molecular Weight 352.4 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 352.05177804 g/mol
Monoisotopic Mass 352.05177804 g/mol
Topological Polar Surface Area 93.3 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 656
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