890091-55-1
Product Name:
Isothiazolo[4,5-d]pyrimidine-3-carboxylic acid, 6,7-dihydro-7-oxo-, ethyl ester
Formula:
C8H7N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 225.23 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 225.02081227 g/mol |
| Monoisotopic Mass | 225.02081227 g/mol |
| Topological Polar Surface Area | 109 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 320 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |