956792-37-3
Product Name:
(Z)-3-(DIMETHYLAMINO)-2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-(3-NITROPHENYL)-2-PROPEN-1-ONE
Formula:
C16H18N4O3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | >47.2 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
Molecular Weight | 314.34 g/mol |
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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 |