438029-03-9
Product Name:
2-(2-CHLORO-ACETYLAMINO)-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
Formula:
C13H16ClNO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 301.79 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 301.0539422 g/mol |
| Monoisotopic Mass | 301.0539422 g/mol |
| Topological Polar Surface Area | 83.6 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 353 |
| 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 |