| MolName | [1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate |
| MolecularFormula | C25H14N2O3Cl4 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N/N=C\c(c1ccccc1cc1)c1OC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C25H14Cl4N2O3/c26-15-6-8-18(21(28)11-15)24(32)31-30-13-20-17-4-2-1-3-14(17)5-10-23(20)34-25(33)19-9-7-16(27)12-22(19)29/h1-13H,(H,31,32) |
| InChIK | URBAWFBHQJCSGY-UHFFFAOYSA-N |
| TotalMolweight | 532.209 |
| Molweight | 532.209 |
| MonoisotopicMass | 529.975851 |
| CLogP | 8.2505 |
| CLogS | -9.741 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 370.78 |
| Relative PSA | 0.15926 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.0416 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - [1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate | 2 - [1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate