896822-10-9
Product Name:
(2Z)-7-[[bis(2-methoxyethyl)azaniumyl]methyl]-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-olate
Formula:
C22H24N2O7
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COMPUTED DESCRIPTORS
| Molecular Weight | 428.4 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 428.15835111 g/mol |
| Monoisotopic Mass | 428.15835111 g/mol |
| Topological Polar Surface Area | 114 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 642 |
| 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 |