COMPUTED DESCRIPTORS
| Molecular Weight | 595.7 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 595.27946930 g/mol |
| Monoisotopic Mass | 595.27946930 g/mol |
| Topological Polar Surface Area | 107 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 1250 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
See also: Ergotamine (related).