| MolName | 4-(2-amino-2-oxoethoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide |
| MolecularFormula | C16H13N3O3Cl2 |
| Smiles | NC(COc(cc1)ccc1C(N/N=C\c(ccc(Cl)c1)c1Cl)=O)=O |
| InChI | InChI=1S/C16H13Cl2N3O3/c17-12-4-1-11(14(18)7-12)8-20-21-16(23)10-2-5-13(6-3-10)24-9-15(19)22/h1-8H,9H2,(H2,19,22)(H,21,23) |
| InChIK | MRALQMJDJCVBDN-UHFFFAOYSA-N |
| TotalMolweight | 366.203 |
| Molweight | 366.203 |
| MonoisotopicMass | 365.033396 |
| CLogP | 3.0758 |
| CLogS | -5.062 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 267.86 |
| Relative PSA | 0.27746 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 4.5742 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 4-(2-amino-2-oxoethoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide | 2 - 4-(2-amino-2-oxoethoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide