957559-59-0
Product Name:
(3AR,4S,9BS)-ETHYL 8-BROMO-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA[C]QUINOLINE-4-CARBOXYLATE
Formula:
C15H16BrNO2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 322.20 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 321.03644 g/mol |
| Monoisotopic Mass | 321.03644 g/mol |
| Topological Polar Surface Area | 38.3 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 384 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |