COMPUTED DESCRIPTORS
| Molecular Weight | 437.6 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 437.27773796 g/mol |
| Monoisotopic Mass | 437.27773796 g/mol |
| Topological Polar Surface Area | 91.6 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 752 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 13 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Neoline is a natural product found in Aconitum variegatum, Aconitum karakolicum, and other organisms with data available.