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106364-97-0

106364-97-0 structural image
Product Name: 4-[(E)-(DIMETHYLAMINO)METHYLIDENE]-3,4-DIHYDRO-1-BENZOTHIEPIN-5(2H)-ONE
Formula: C13H15NOS
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COMPUTED DESCRIPTORS

Molecular Weight 233.33 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 233.08743528 g/mol
Monoisotopic Mass 233.08743528 g/mol
Topological Polar Surface Area 45.6 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 298
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes