87798-89-8
Product Name:
1-(3-(4-(o-Chlorophenyl)-1-piperazinyl)propyl)theobromine dihydrochlor ide
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COMPUTED DESCRIPTORS
| Molecular Weight | 489.8 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 488.126107 g/mol |
| Monoisotopic Mass | 488.126107 g/mol |
| Topological Polar Surface Area | 64.9 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 614 |
| 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 |