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691870-00-5

691870-00-5 structural image
Product Name: (E)-3-(DIMETHYLAMINO)-1-[3-(4-METHYLPHENYL)-2,1-BENZISOXAZOL-5-YL]-2-PROPEN-1-ONE
Formula: C19H18N2O2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 2.3 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 306.4 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 306.136827821 g/mol
Monoisotopic Mass 306.136827821 g/mol
Topological Polar Surface Area 46.3 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 441
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