840486-06-8
Product Name:
2-[(E)-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)triazole-4-carbonyl]hydrazinylidene]methyl]-6-methoxyphenolate
Formula:
C19H15N9O6
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COMPUTED DESCRIPTORS
| Molecular Weight | 465.4 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 6 |
| Exact Mass | 465.11452923 g/mol |
| Monoisotopic Mass | 465.11452923 g/mol |
| Topological Polar Surface Area | 212 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 746 |
| 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 |