2-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]isoindole-1,3-dione
Formula:C17H12N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]isoindole-1,3-dione is a drug-like molecule.
| MolName | 2-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]isoindole-1,3-dione |
| MolecularFormula | C17H12N2O4 |
| Smiles | O=C(c(cccc1)c1C1=O)N1/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C17H12N2O4/c20-16-12-3-1-2-4-13(12)17(21)19(16)18-10-11-5-6-14-15(9-11)23-8-7-22-14/h1-6,9-10H,7-8H2 |
| InChIK | NRDIGNPRIGNBGC-UHFFFAOYSA-N |
| TotalMolweight | 308.292 |
| Molweight | 308.292 |
| MonoisotopicMass | 308.079708 |
| CLogP | 2.6305 |
| CLogS | -3.764 |
| H Acceptors | 6 |
| TotalSurfaceArea | 224.1 |
| Relative PSA | 0.27282 |
| PolarSurfaceArea | 68.2 |
| Druglikeness | -3.4928 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 2-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]isoindole-1,3-dione
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