COMPUTED DESCRIPTORS
| Molecular Weight | 642.6 g/mol |
|---|---|
| XLogP3 | -1.3 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 7 |
| Exact Mass | 642.21598512 g/mol |
| Monoisotopic Mass | 642.21598512 g/mol |
| Topological Polar Surface Area | 245 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1320 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 15 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
CID 72955 is a natural product found in Brucea javanica with data available.