956792-44-2
Product Name:
(Z)-1-(4-CHLOROPHENYL)-3-(DIMETHYLAMINO)-2-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)-2-PROPEN-1-ONE
Formula:
C16H18ClN3O
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Solubility | 36.4 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
Molecular Weight | 303.78 g/mol |
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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 |