CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | A mixture of aspirin (A), phenactin (P) and caffeine (C). Used an an analgesic. White powder. (NTP, 1992) |
|---|---|
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
COMPUTED DESCRIPTORS
| Molecular Weight | 553.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 553.21726296 g/mol |
| Monoisotopic Mass | 553.21726296 g/mol |
| Topological Polar Surface Area | 160 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 667 |
| 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 | 3 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
A mixture of aspirin (A), phenactin (P) and caffeine (C). Used an an analgesic. White powder. (NTP, 1992)