| MolName | [1-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate |
| MolecularFormula | C25H16N2O5Cl2 |
| Smiles | Oc(cc1)cc(O)c1C(N/N=C\c(c1ccccc1cc1)c1OC(c(ccc(Cl)c1)c1Cl)=O)=O |
| InChI | InChI=1S/C25H16Cl2N2O5/c26-15-6-8-18(21(27)11-15)25(33)34-23-10-5-14-3-1-2-4-17(14)20(23)13-28-29-24(32)19-9-7-16(30)12-22(19)31/h1-13,30-31H,(H,29,32) |
| InChIK | OLMYYEVAJPIPJY-UHFFFAOYSA-N |
| TotalMolweight | 495.317 |
| Molweight | 495.317 |
| MonoisotopicMass | 494.043627 |
| CLogP | 6.3471 |
| CLogS | -7.677 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 352.64 |
| Relative PSA | 0.24175 |
| PolarSurfaceArea | 108.22 |
| Druglikeness | 4.0444 |
| 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 | 3 |
| StereoCon |
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1 - [1-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate | 2 - [1-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate