900259-17-8
Product Name:
(2Z)-2-[(4-nitrophenyl)methylidene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate
Formula:
C21H20N2O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 380.4 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 380.13722174 g/mol |
| Monoisotopic Mass | 380.13722174 g/mol |
| Topological Polar Surface Area | 95.6 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 617 |
| 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 |