79677-06-8
Product Name:
4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-2-(phenylmethyl)-1-(3,4,5-tri methoxyphenyl)-, hydrochloride, hydrate (3:3:1)
Formula:
C25H27NO5.ClH.H2O
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COMPUTED DESCRIPTORS
| Molecular Weight | 457.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 457.1656007 g/mol |
| Monoisotopic Mass | 457.1656007 g/mol |
| Topological Polar Surface Area | 72.6 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 542 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |