790681-57-1
Product Name:
4-OXO-2,3,4,5-TETRAHYDRO-1,5-BENZOTHIAZEPINE-7-CARBOXYLIC ACID
Formula:
C10H9NO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 223.25 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 223.03031432 g/mol |
| Monoisotopic Mass | 223.03031432 g/mol |
| Topological Polar Surface Area | 91.7 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 282 |
| 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 |