853904-04-8
Product Name:
2-[(5E)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Formula:
C13H13NO4S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 311.4 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 311.02860024 g/mol |
| Monoisotopic Mass | 311.02860024 g/mol |
| Topological Polar Surface Area | 128 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 477 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |