612049-16-8
Product Name:
4-[2-amino-3-cyano-7-methyl-5-oxo-6-(pyridin-1-ium-3-ylmethyl)-4H-pyrano[3,2-c]pyridin-4-yl]phenolate
Formula:
C22H18N4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 386.4 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 386.13789045 g/mol |
| Monoisotopic Mass | 386.13789045 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 826 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |