COMPUTED DESCRIPTORS
| Molecular Weight | 853.0 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 3 |
| Exact Mass | 852.46599222 g/mol |
| Monoisotopic Mass | 852.46599222 g/mol |
| Topological Polar Surface Area | 147 Ų |
| Heavy Atom Count | 61 |
| Formal Charge | 0 |
| Complexity | 1670 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 22 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Brevetoxin 1 is a natural product found in Karenia brevis with data available.