87798-91-2
Product Name:
1-(4-(4-(3,4-Dichlorophenyl)-piperazinyl)butyl)theobromine dihydrochlo ride
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COMPUTED DESCRIPTORS
| Molecular Weight | 538.3 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 538.099835 g/mol |
| Monoisotopic Mass | 536.102785 g/mol |
| Topological Polar Surface Area | 64.9 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 662 |
| 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 |