338761-88-9
Product Name:
N-(3-CHLOROPHENYL)-1-(CYANOMETHYL)-3,4-DIHYDRO-2(1H)-ISOQUINOLINECARBOXAMIDE
Formula:
C18H16ClN3O
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COMPUTED DESCRIPTORS
| Molecular Weight | 325.8 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 325.0981898 g/mol |
| Monoisotopic Mass | 325.0981898 g/mol |
| Topological Polar Surface Area | 56.1 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 474 |
| 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 |