52244-06-1
Product Name:
(6,7-DIMETHOXY-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETONITRILE
Formula:
C13H16N2O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 232.28 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 232.121177757 g/mol |
| Monoisotopic Mass | 232.121177757 g/mol |
| Topological Polar Surface Area | 54.3 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 299 |
| 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 |