(2E)-3-[(4-fluorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
Formula:C15H12N3O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-3-[(4-fluorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (2E)-3-[(4-fluorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C15H12N3O2FS |
| Smiles | O=C(CS1)N(Cc(cc2)ccc2F)/C1=N\N=C/c1ccco1 |
| InChI | InChI=1S/C15H12FN3O2S/c16-12-5-3-11(4-6-12)9-19-14(20)10-22-15(19)18-17-8-13-2-1-7-21-13/h1-8H,9-10H2 |
| InChIK | OGCLTCWIMMQQOA-UHFFFAOYSA-N |
| TotalMolweight | 317.343 |
| Molweight | 317.343 |
| MonoisotopicMass | 317.063425 |
| CLogP | 3.5292 |
| CLogS | -4.468 |
| H Acceptors | 5 |
| TotalSurfaceArea | 236.35 |
| Relative PSA | 0.30129 |
| PolarSurfaceArea | 83.47 |
| Druglikeness | 3.6718 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (2E)-3-[(4-fluorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one | 2 - (2E)-3-[(4-fluorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
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