COMPUTED DESCRIPTORS
| Molecular Weight | 358.4 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 358.14163842 g/mol |
| Monoisotopic Mass | 358.14163842 g/mol |
| Topological Polar Surface Area | 101 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 641 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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
Isobutylshikonin is a hydroxy-1,4-naphthoquinone.