89607-48-7
Product Name:
((3-METHYL-5-OXO(2-PYRAZOLIN-4-YL))PHENYLMETHYL)METHANE-1,1-DICARBONITRILE
Formula:
C14H12N4O
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COMPUTED DESCRIPTORS
| Molecular Weight | 252.27 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 252.10111102 g/mol |
| Monoisotopic Mass | 252.10111102 g/mol |
| Topological Polar Surface Area | 89 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 470 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |