2-[(Z)-naphthalen-1-ylmethylideneamino]isoindole-1,3-dione
Formula:C19H12N2O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[(Z)-naphthalen-1-ylmethylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-naphthalen-1-ylmethylideneamino]isoindole-1,3-dione |
| MolecularFormula | C19H12N2O2 |
| Smiles | O=C(c(cccc1)c1C1=O)N1/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C19H12N2O2/c22-18-16-10-3-4-11-17(16)19(23)21(18)20-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H |
| InChIK | OYHJBPNTHWIYES-UHFFFAOYSA-N |
| TotalMolweight | 300.316 |
| Molweight | 300.316 |
| MonoisotopicMass | 300.089878 |
| CLogP | 3.8461 |
| CLogS | -5.188 |
| H Acceptors | 4 |
| TotalSurfaceArea | 224.68 |
| Relative PSA | 0.1831 |
| PolarSurfaceArea | 49.74 |
| Druglikeness | 3.8425 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 2-[(Z)-naphthalen-1-ylmethylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-naphthalen-1-ylmethylideneamino]isoindole-1,3-dione
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