899410-55-0
Product Name:
(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate
Formula:
C19H19NO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 341.4 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 341.10856464 g/mol |
| Monoisotopic Mass | 341.10856464 g/mol |
| Topological Polar Surface Area | 78 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 517 |
| 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 |