COMPUTED DESCRIPTORS
| Molecular Weight | 532.7 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 10 |
| Exact Mass | 532.30361836 g/mol |
| Monoisotopic Mass | 532.30361836 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 1060 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 11 |
| 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
Simplexin is an organic molecular entity. It has a role as a metabolite.