1,2,3,4-tetrachloro-6-[(Z)-(phenylhydrazinylidene)methyl]anthracene-9,10-dione
Formula:C21H10N2O2Cl4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
1,2,3,4-tetrachloro-6-[(Z)-(phenylhydrazinylidene)methyl]anthracene-9,10-dione is not a drug-like molecule.
| MolName | 1,2,3,4-tetrachloro-6-[(Z)-(phenylhydrazinylidene)methyl]anthracene-9,10-dione |
| MolecularFormula | C21H10N2O2Cl4 |
| Smiles | O=C(c(ccc(/C=N\Nc1ccccc1)c1)c1C(c1c(c(Cl)c2Cl)Cl)=O)c1c2Cl |
| InChI | InChI=1S/C21H10Cl4N2O2/c22-16-14-15(17(23)19(25)18(16)24)21(29)13-8-10(6-7-12(13)20(14)28)9-26-27-11-4-2-1-3-5-11/h1-9,27H |
| InChIK | QPXJTMJQELXUCR-UHFFFAOYSA-N |
| TotalMolweight | 464.134 |
| Molweight | 464.134 |
| MonoisotopicMass | 461.949636 |
| CLogP | 8.6387 |
| CLogS | -9.207 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 312.68 |
| Relative PSA | 0.15687 |
| PolarSurfaceArea | 58.53 |
| Druglikeness | 2.5475 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 1,2,3,4-tetrachloro-6-[(Z)-(phenylhydrazinylidene)methyl]anthracene-9,10-dione | 2 - 1,2,3,4-tetrachloro-6-[(Z)-(phenylhydrazinylidene)methyl]anthracene-9,10-dione
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