946779-31-3
Product Name:
2-amino-6-tert-butyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
Formula:
C13H19NO2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 253.36 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 253.11365002 g/mol |
| Monoisotopic Mass | 253.11365002 g/mol |
| Topological Polar Surface Area | 91.6 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 313 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |