338953-30-3
Product Name:
3-[(4-CHLOROANILINO)METHYLENE]-1,6,7,11B-TETRAHYDRO-2H-PYRIDO[2,1-A]ISOQUINOLINE-2,4(3H)-DIONE
Formula:
C20H17ClN2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 352.8 g/mol |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 352.0978555 g/mol |
| Monoisotopic Mass | 352.0978555 g/mol |
| Topological Polar Surface Area | 52.9 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 580 |
| 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 |