(2E)-3-(naphthalen-1-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
Formula:C19H15N3OS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(2E)-3-(naphthalen-1-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2E)-3-(naphthalen-1-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C19H15N3OS2 |
| Smiles | O=C(CS1)N(Cc2cccc3ccccc23)/C1=N\N=C/c1cccs1 |
| InChI | InChI=1S/C19H15N3OS2/c23-18-13-25-19(21-20-11-16-8-4-10-24-16)22(18)12-15-7-3-6-14-5-1-2-9-17(14)15/h1-11H,12-13H2 |
| InChIK | LVYGORDCHAMRGC-UHFFFAOYSA-N |
| TotalMolweight | 365.48 |
| Molweight | 365.48 |
| MonoisotopicMass | 365.065652 |
| CLogP | 5.3007 |
| CLogS | -6.088 |
| H Acceptors | 4 |
| TotalSurfaceArea | 270.85 |
| Relative PSA | 0.28599 |
| PolarSurfaceArea | 98.57 |
| Druglikeness | 6.4287 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (2E)-3-(naphthalen-1-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one | 2 - (2E)-3-(naphthalen-1-ylmethyl)-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
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