(5E)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione
Formula:C14H9NO2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5E)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C14H9NO2S |
| Smiles | O=C(/C(/S1)=C\c2cccc3ccccc23)NC1=O |
| InChI | InChI=1S/C14H9NO2S/c16-13-12(18-14(17)15-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H,15,16,17) |
| InChIK | WMHVUSFNJBJQQB-UHFFFAOYSA-N |
| TotalMolweight | 255.296 |
| Molweight | 255.296 |
| MonoisotopicMass | 255.035399 |
| CLogP | 2.6838 |
| CLogS | -4.755 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 183.52 |
| Relative PSA | 0.29986 |
| PolarSurfaceArea | 71.47 |
| Druglikeness | 3.0101 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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