870692-52-7
Product Name:
2-Propenoic acid, 3-[2,5-dimethyl-1-(2-thiazolyl)-1H-pyrrol-3-yl]-
Formula:
C12H12N2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 248.30 g/mol |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 248.06194880 g/mol |
| Monoisotopic Mass | 248.06194880 g/mol |
| Topological Polar Surface Area | 83.4 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 322 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |