856681-05-5
Product Name:
(1R)-8-Chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine hydrochloride hemihydrate
Formula:
2(C11H14ClN).2(HCl).H2O
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COMPUTED DESCRIPTORS
| Molecular Weight | 250.16 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 249.0687196 g/mol |
| Monoisotopic Mass | 249.0687196 g/mol |
| Topological Polar Surface Area | 13 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 172 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 3 |
| Compound Is Canonicalized | Yes |