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956792-37-3

956792-37-3 structural image
Product Name: (Z)-3-(DIMETHYLAMINO)-2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-(3-NITROPHENYL)-2-PROPEN-1-ONE
Formula: C16H18N4O3
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >47.2 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 314.34 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 314.13789045 g/mol
Monoisotopic Mass 314.13789045 g/mol
Topological Polar Surface Area 84 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 486
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