| MolName | [4-[(Z)-[[2,2-bis(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C28H18N2O5Cl4 |
| Smiles | O=C(C(Oc(cc1)ccc1Cl)Oc(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C28H18Cl4N2O5/c29-18-3-10-22(11-4-18)38-28(39-23-12-5-19(30)6-13-23)26(35)34-33-16-17-1-8-21(9-2-17)37-27(36)24-14-7-20(31)15-25(24)32/h1-16,28H,(H,34,35) |
| InChIK | GEJCXHLCPIECIW-UHFFFAOYSA-N |
| TotalMolweight | 604.272 |
| Molweight | 604.272 |
| MonoisotopicMass | 601.996981 |
| CLogP | 7.8687 |
| CLogS | -9.186 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 428.44 |
| Relative PSA | 0.18451 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | 4.2953 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5641 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 12 |
| StereoCon |
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1 - [4-[(Z)-[[2,2-bis(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [4-[(Z)-[[2,2-bis(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate