2-[(Z)-thiophen-3-ylmethylideneamino]isoindole-1,3-dione
Formula:C13H8N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-thiophen-3-ylmethylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-thiophen-3-ylmethylideneamino]isoindole-1,3-dione |
| MolecularFormula | C13H8N2O2S |
| Smiles | O=C(c(cccc1)c1C1=O)N1/N=C\c1cscc1 |
| InChI | InChI=1S/C13H8N2O2S/c16-12-10-3-1-2-4-11(10)13(17)15(12)14-7-9-5-6-18-8-9/h1-8H |
| InChIK | FPZZTPCIYXRRDY-UHFFFAOYSA-N |
| TotalMolweight | 256.285 |
| Molweight | 256.285 |
| MonoisotopicMass | 256.030648 |
| CLogP | 2.4361 |
| CLogS | -3.482 |
| H Acceptors | 4 |
| TotalSurfaceArea | 186.02 |
| Relative PSA | 0.33061 |
| PolarSurfaceArea | 77.98 |
| Druglikeness | 4.3299 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 2-[(Z)-thiophen-3-ylmethylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-thiophen-3-ylmethylideneamino]isoindole-1,3-dione
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