442651-55-0
Product Name:
3-(4-chlorophenyl)-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate
Formula:
C21H17ClF3NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 423.8 g/mol |
|---|---|
| XLogP3 | 4.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 423.0849056 g/mol |
| Monoisotopic Mass | 423.0849056 g/mol |
| Topological Polar Surface Area | 49.8 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 654 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |