2060052-21-1
Product Name:
Isothiazolo[5,4-b]pyridine-3,5-dicarboxylic acid, 6-cyclopropyl-4-methyl-, 5-ethyl ester
Formula:
C14H14N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 306.34 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 306.06742811 g/mol |
| Monoisotopic Mass | 306.06742811 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 443 |
| 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 |