590355-40-1
Product Name:
Benzo[b]thiophene-2-carboxylic acid, 5-ethyl-4,5,6,7-tetrahydro- (9CI)
Formula:
C11H14O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 210.29 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 210.07145086 g/mol |
| Monoisotopic Mass | 210.07145086 g/mol |
| Topological Polar Surface Area | 65.5 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 229 |
| 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 |