63245-09-0
Product Name:
2-Benzothiazoleacetonitrile, α-(2,3-dihydro-3-oxo-1H-isoindol-1-ylidene)-
Formula:
C17H9N3OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 303.3 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 303.04663309 g/mol |
| Monoisotopic Mass | 303.04663309 g/mol |
| Topological Polar Surface Area | 94 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 564 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |