(2E)-2-[(Z)-benzylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
Formula:C21H17N3OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(2E)-2-[(Z)-benzylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2E)-2-[(Z)-benzylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one |
| MolecularFormula | C21H17N3OS |
| Smiles | O=C(CS1)N(Cc2cccc3ccccc23)/C1=N\N=C/c1ccccc1 |
| InChI | InChI=1S/C21H17N3OS/c25-20-15-26-21(23-22-13-16-7-2-1-3-8-16)24(20)14-18-11-6-10-17-9-4-5-12-19(17)18/h1-13H,14-15H2 |
| InChIK | NDKRJUVLNMSXON-UHFFFAOYSA-N |
| TotalMolweight | 359.452 |
| Molweight | 359.452 |
| MonoisotopicMass | 359.109232 |
| CLogP | 5.4341 |
| CLogS | -6.078 |
| H Acceptors | 4 |
| TotalSurfaceArea | 274.91 |
| Relative PSA | 0.2077 |
| PolarSurfaceArea | 70.33 |
| Druglikeness | 5.1229 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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)-2-[(Z)-benzylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one | 2 - (2E)-2-[(Z)-benzylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
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