(5Z)-5-[[3-(2-phenylethynyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
Formula:C18H11NO2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[[3-(2-phenylethynyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[[3-(2-phenylethynyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C18H11NO2S |
| Smiles | O=C(/C(/S1)=C/c2cc(C#Cc3ccccc3)ccc2)NC1=O |
| InChI | InChI=1S/C18H11NO2S/c20-17-16(22-18(21)19-17)12-15-8-4-7-14(11-15)10-9-13-5-2-1-3-6-13/h1-8,11-12H,(H,19,20,21) |
| InChIK | ZLVLXAGGQIHVLJ-UHFFFAOYSA-N |
| TotalMolweight | 305.356 |
| Molweight | 305.356 |
| MonoisotopicMass | 305.051049 |
| CLogP | 3.6734 |
| CLogS | -4.185 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 238.48 |
| Relative PSA | 0.23075 |
| PolarSurfaceArea | 71.47 |
| Druglikeness | -0.71994 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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