47281-61-8
Product Name:
6,7-DIMETHOXY-1-(4-NITRO-PHENYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
Formula:
C17H18N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 314.34 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 314.12665706 g/mol |
| Monoisotopic Mass | 314.12665706 g/mol |
| Topological Polar Surface Area | 76.3 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 406 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |