338793-03-6
Product Name:
1-(CYANOMETHYL)-3,4-DIHYDRO-2(1H)-ISOQUINOLINECARBOXAMIDE
Formula:
C12H13N3O
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COMPUTED DESCRIPTORS
| Molecular Weight | 215.25 g/mol |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 215.105862047 g/mol |
| Monoisotopic Mass | 215.105862047 g/mol |
| Topological Polar Surface Area | 70.1 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 320 |
| 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 |