19971-75-6
Product Name:
Theophylline, 7-(3-(4-benzyl-1-piperazinyl)propyl)-, dihydrochloride
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COMPUTED DESCRIPTORS
| Molecular Weight | 469.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 468.1807296 g/mol |
| Monoisotopic Mass | 468.1807296 g/mol |
| Topological Polar Surface Area | 64.9 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 588 |
| 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 |