2060044-41-7
Product Name:
Isothiazolo[5,4-b]pyridine-5-acetic acid, 3-(hydroxymethyl)-4,6-dimethyl-, ethyl ester
Formula:
C13H16N2O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 280.34 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 280.08816355 g/mol |
| Monoisotopic Mass | 280.08816355 g/mol |
| Topological Polar Surface Area | 101 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 329 |
| 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 |