129303-30-6
Product Name:
Isothiazolo(3,4-b)quinoxaline, 1,3,3a,4,9,9a-hexahydro-1-(phenylmethyl )-, 2,2-dioxide
Formula:
C16H17N3O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 315.4 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 315.10414797 g/mol |
| Monoisotopic Mass | 315.10414797 g/mol |
| Topological Polar Surface Area | 69.8 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 498 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |