111599-07-6
Product Name:
(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETONITRILE
Formula:
C11H12N2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 172.23 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 172.100048391 g/mol |
| Monoisotopic Mass | 172.100048391 g/mol |
| Topological Polar Surface Area | 35.8 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 215 |
| 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 |