2-[(Z)-anthracen-9-ylmethylideneamino]isoindole-1,3-dione
Formula:C23H14N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(Z)-anthracen-9-ylmethylideneamino]isoindole-1,3-dione is not a drug-like molecule.
| MolName | 2-[(Z)-anthracen-9-ylmethylideneamino]isoindole-1,3-dione |
| MolecularFormula | C23H14N2O2 |
| Smiles | O=C(c(cccc1)c1C1=O)N1/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C23H14N2O2/c26-22-19-11-5-6-12-20(19)23(27)25(22)24-14-21-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)21/h1-14H |
| InChIK | RTWWEQAKLLFRRJ-UHFFFAOYSA-N |
| TotalMolweight | 350.376 |
| Molweight | 350.376 |
| MonoisotopicMass | 350.105528 |
| CLogP | 5.0405 |
| CLogS | -6.794 |
| H Acceptors | 4 |
| TotalSurfaceArea | 259.28 |
| Relative PSA | 0.15867 |
| PolarSurfaceArea | 49.74 |
| Druglikeness | 3.8425 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 11 |
| StereoCon |
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1 - 2-[(Z)-anthracen-9-ylmethylideneamino]isoindole-1,3-dione | 2 - 2-[(Z)-anthracen-9-ylmethylideneamino]isoindole-1,3-dione
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