2438-48-4
Product Name:
oxo-[[1-[4-[4-(oxoazaniumylmethylidene)pyridin-1-yl]butyl]pyridin-4-ylidene]methyl]azanium dibromide
Formula:
C16H19Br2N4O2-
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COMPUTED DESCRIPTORS
| Molecular Weight | 460.2 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 459.99325 g/mol |
| Monoisotopic Mass | 457.99530 g/mol |
| Topological Polar Surface Area | 72.9 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 312 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |