92248-75-4
Product Name:
2H-Pyrrol-2-one, 3-acetyl-1,5-dihydro-4-hydroxy-5-[[(phenylmethyl)thio]methyl]-
Formula:
C14H15NO3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 277.34 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 277.07726451 g/mol |
| Monoisotopic Mass | 277.07726451 g/mol |
| Topological Polar Surface Area | 91.7 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 400 |
| 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 |