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956792-44-2

956792-44-2 structural image
Product Name: (Z)-1-(4-CHLOROPHENYL)-3-(DIMETHYLAMINO)-2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-2-PROPEN-1-ONE
Formula: C16H18ClN3O
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 36.4 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 303.78 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 303.1138399 g/mol
Monoisotopic Mass 303.1138399 g/mol
Topological Polar Surface Area 38.1 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 402
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