| MolName | [4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C22H14N2O4Cl4 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c(cc1)ccc1OC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C22H14Cl4N2O4/c23-14-3-7-17(18(25)9-14)22(30)32-16-5-1-13(2-6-16)11-27-28-21(29)12-31-20-8-4-15(24)10-19(20)26/h1-11H,12H2,(H,28,29) |
| InChIK | LJDSEMDXCNORJV-UHFFFAOYSA-N |
| TotalMolweight | 512.175 |
| Molweight | 512.175 |
| MonoisotopicMass | 509.970766 |
| CLogP | 6.631 |
| CLogS | -7.915 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 359.94 |
| Relative PSA | 0.19184 |
| 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 | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate