COMPUTED DESCRIPTORS
| Molecular Weight | 321.9 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 321.1066465 g/mol |
| Monoisotopic Mass | 321.1066465 g/mol |
| Topological Polar Surface Area | 50.6 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 449 |
| 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
4-Chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9A-triaza-benzo[CD]azulene-1-thione is a natural product found in Calophyllum inophyllum with data available.