(2E)-3-[(4-fluorophenyl)methyl]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
Formula:C17H13N4O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-3-[(4-fluorophenyl)methyl]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (2E)-3-[(4-fluorophenyl)methyl]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C17H13N4O3FS |
| Smiles | [O-][N+](c1cccc(/C=N\N=C(/N2Cc(cc3)ccc3F)\SCC2=O)c1)=O |
| InChI | InChI=1S/C17H13FN4O3S/c18-14-6-4-12(5-7-14)10-21-16(23)11-26-17(21)20-19-9-13-2-1-3-15(8-13)22(24)25/h1-9H,10-11H2 |
| InChIK | HIBPTYXYLARXGG-UHFFFAOYSA-N |
| TotalMolweight | 372.379 |
| Molweight | 372.379 |
| MonoisotopicMass | 372.069239 |
| CLogP | 3.4189 |
| CLogS | -5.246 |
| H Acceptors | 7 |
| TotalSurfaceArea | 270.33 |
| Relative PSA | 0.32375 |
| PolarSurfaceArea | 116.15 |
| Druglikeness | -1.3397 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (2E)-3-[(4-fluorophenyl)methyl]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one | 2 - (2E)-3-[(4-fluorophenyl)methyl]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
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