| MolName | [3-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C22H14N2O4Cl4 |
| Smiles | O=C(COc1cccc(Cl)c1Cl)N/N=C\c1cc(OC(c(ccc(Cl)c2)c2Cl)=O)ccc1 |
| InChI | InChI=1S/C22H14Cl4N2O4/c23-14-7-8-16(18(25)10-14)22(30)32-15-4-1-3-13(9-15)11-27-28-20(29)12-31-19-6-2-5-17(24)21(19)26/h1-11H,12H2,(H,28,29) |
| InChIK | DPBCPWRVALXKEM-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 | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| 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 |
| StereoCon |
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1 - [3-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [3-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate