896821-57-1
Product Name:
3-[5-chloro-4-(4-methoxyanilino)-6-oxopyridazin-1-yl]adamantane-1-carboxylic acid
Formula:
C22H24ClN3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 429.9 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 429.1455339 g/mol |
| Monoisotopic Mass | 429.1455339 g/mol |
| Topological Polar Surface Area | 91.2 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 803 |
| 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 |