| MolName | [1-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate |
| MolecularFormula | C26H17N2O4Cl3 |
| Smiles | O=C(COc1cccc(Cl)c1Cl)N/N=C\c(c1ccccc1cc1)c1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C26H17Cl3N2O4/c27-20-9-4-3-8-18(20)26(33)35-22-13-12-16-6-1-2-7-17(16)19(22)14-30-31-24(32)15-34-23-11-5-10-21(28)25(23)29/h1-14H,15H2,(H,31,32) |
| InChIK | HKPVQBMFNCIIEH-UHFFFAOYSA-N |
| TotalMolweight | 527.79 |
| Molweight | 527.79 |
| MonoisotopicMass | 526.025389 |
| CLogP | 7.2194 |
| CLogS | -8.785 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 379.12 |
| Relative PSA | 0.18213 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 4.0206 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - [1-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate | 2 - [1-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate