353791-85-2
Product Name:
1,4-CIS-1-(1-CYCLOOCTEN-1-YLMETHYL)-4-[[(2,7-DICHLORO-9H-XANTHEN-9-YL)CARBONYL]AMINO]-1-ETHYLPIPERIDINIUM IODIDE
Formula:
C30H37Cl2IN2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 655.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 654.12768 g/mol |
| Monoisotopic Mass | 654.12768 g/mol |
| Topological Polar Surface Area | 38.3 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 755 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |