866019-28-5
Product Name:
3-(2,5-DIMETHYL-1H-PYRROL-1-YL)-3-(3-THIENYL)PROPANOIC ACID
Formula:
C13H15NO2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 249.33 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 249.08234989 g/mol |
| Monoisotopic Mass | 249.08234989 g/mol |
| Topological Polar Surface Area | 70.5 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 275 |
| 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 |