COMPUTED DESCRIPTORS
| Molecular Weight | 194.19 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 194.08037557 g/mol |
| Monoisotopic Mass | 194.08037557 g/mol |
| Topological Polar Surface Area | 58.4 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 293 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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
Isocaffeine is a natural product found in Murraya paniculata with data available.