| MolName | N-[(Z)-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-2-(2,4-dichlorophenoxy)acetamide |
| MolecularFormula | C23H18N4O2Cl2 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C(/Cc1nc(cccc2)c2[nH]1)\c1ccccc1 |
| InChI | InChI=1S/C23H18Cl2N4O2/c24-16-10-11-21(17(25)12-16)31-14-23(30)29-28-20(15-6-2-1-3-7-15)13-22-26-18-8-4-5-9-19(18)27-22/h1-12H,13-14H2,(H,26,27)(H,29,30) |
| InChIK | DYCZEQCESMVNCE-UHFFFAOYSA-N |
| TotalMolweight | 453.328 |
| Molweight | 453.328 |
| MonoisotopicMass | 452.08068 |
| CLogP | 4.8574 |
| CLogS | -5.963 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 336.25 |
| Relative PSA | 0.21106 |
| PolarSurfaceArea | 79.37 |
| Druglikeness | 3.7444 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-2-(2,4-dichlorophenoxy)acetamide | 2 - N-[(Z)-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-2-(2,4-dichlorophenoxy)acetamide