| MolName | [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C29H19N2O6Cl3 |
| Smiles | O=C(COc(cc1)ccc1Cl)N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C29H19Cl3N2O6/c30-21-6-1-18(2-7-21)28(36)39-25-12-5-20(26(15-25)40-29(37)19-3-8-22(31)9-4-19)16-33-34-27(35)17-38-24-13-10-23(32)11-14-24/h1-16H,17H2,(H,34,35) |
| InChIK | SJLGITMRLCJCIR-UHFFFAOYSA-N |
| TotalMolweight | 597.837 |
| Molweight | 597.837 |
| MonoisotopicMass | 596.030869 |
| CLogP | 7.4555 |
| CLogS | -8.649 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 432.03 |
| Relative PSA | 0.21316 |
| PolarSurfaceArea | 103.29 |
| Druglikeness | 4.0206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate