32409-95-3
Product Name:
2-(3-CHLOROPROPANOYL)-1,2-DIHYDROISOQUINOLINE-1-CARBONITRILE
Formula:
C13H11ClN2O
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COMPUTED DESCRIPTORS
| Molecular Weight | 246.69 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 246.0559907 g/mol |
| Monoisotopic Mass | 246.0559907 g/mol |
| Topological Polar Surface Area | 44.1 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 371 |
| 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 |