(2E)-3-[(4-fluorophenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
Formula:C21H16N3OFS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(2E)-3-[(4-fluorophenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2E)-3-[(4-fluorophenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C21H16N3OFS |
| Smiles | O=C(CS1)N(Cc(cc2)ccc2F)/C1=N\N=C/c1cccc2ccccc12 |
| InChI | InChI=1S/C21H16FN3OS/c22-18-10-8-15(9-11-18)13-25-20(26)14-27-21(25)24-23-12-17-6-3-5-16-4-1-2-7-19(16)17/h1-12H,13-14H2 |
| InChIK | NSARFAVUBODAKC-UHFFFAOYSA-N |
| TotalMolweight | 377.442 |
| Molweight | 377.442 |
| MonoisotopicMass | 377.09981 |
| CLogP | 5.5349 |
| CLogS | -6.392 |
| H Acceptors | 4 |
| TotalSurfaceArea | 281.26 |
| Relative PSA | 0.20301 |
| PolarSurfaceArea | 70.33 |
| Druglikeness | 3.7829 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (2E)-3-[(4-fluorophenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one | 2 - (2E)-3-[(4-fluorophenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
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