(2E)-3-(4-fluorophenyl)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
Formula:C14H10N3O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-3-(4-fluorophenyl)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (2E)-3-(4-fluorophenyl)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C14H10N3O2FS |
| Smiles | O=C(CS/C1=N/N=C\c2ccco2)N1c(cc1)ccc1F |
| InChI | InChI=1S/C14H10FN3O2S/c15-10-3-5-11(6-4-10)18-13(19)9-21-14(18)17-16-8-12-2-1-7-20-12/h1-8H,9H2 |
| InChIK | YTTPWIDAXCMEEK-UHFFFAOYSA-N |
| TotalMolweight | 303.316 |
| Molweight | 303.316 |
| MonoisotopicMass | 303.047775 |
| CLogP | 3.6063 |
| CLogS | -4.99 |
| H Acceptors | 5 |
| TotalSurfaceArea | 222.59 |
| Relative PSA | 0.31992 |
| PolarSurfaceArea | 83.47 |
| Druglikeness | 2.6051 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (2E)-3-(4-fluorophenyl)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one | 2 - (2E)-3-(4-fluorophenyl)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
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