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860788-50-7

860788-50-7 structural image
Product Name: (E)-1-(5-CHLORO-2-THIENYL)-3-(DIMETHYLAMINO)-2-BUTEN-1-ONE
Formula: C10H12ClNOS
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >34.5 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 229.73 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 229.0328129 g/mol
Monoisotopic Mass 229.0328129 g/mol
Topological Polar Surface Area 48.6 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 253
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