2-[(Z)-pyridin-3-ylmethylideneamino]isoindole-1,3-dione
Formula:C14H9N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-pyridin-3-ylmethylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-pyridin-3-ylmethylideneamino]isoindole-1,3-dione |
| MolecularFormula | C14H9N3O2 |
| Smiles | O=C(c(cccc1)c1C1=O)N1/N=C\c1cnccc1 |
| InChI | InChI=1S/C14H9N3O2/c18-13-11-5-1-2-6-12(11)14(19)17(13)16-9-10-4-3-7-15-8-10/h1-9H |
| InChIK | DJBJRFNNAJDTEC-UHFFFAOYSA-N |
| TotalMolweight | 251.244 |
| Molweight | 251.244 |
| MonoisotopicMass | 251.069477 |
| CLogP | 1.6508 |
| CLogS | -2.787 |
| H Acceptors | 5 |
| TotalSurfaceArea | 188.84 |
| Relative PSA | 0.27595 |
| PolarSurfaceArea | 62.63 |
| Druglikeness | 3.8425 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-pyridin-3-ylmethylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-pyridin-3-ylmethylideneamino]isoindole-1,3-dione
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