| MolName | 2,4-dichloro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide |
| MolecularFormula | C19H13N3OCl2 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N/N=C(\c1ccccc1)/c1ccncc1 |
| InChI | InChI=1S/C19H13Cl2N3O/c20-15-6-7-16(17(21)12-15)19(25)24-23-18(13-4-2-1-3-5-13)14-8-10-22-11-9-14/h1-12H,(H,24,25) |
| InChIK | BSVGBWGXDKGPIM-UHFFFAOYSA-N |
| TotalMolweight | 370.238 |
| Molweight | 370.238 |
| MonoisotopicMass | 369.043566 |
| CLogP | 4.6094 |
| CLogS | -6.174 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 274.56 |
| Relative PSA | 0.17111 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 3.3623 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2,4-dichloro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide | 2 - 2,4-dichloro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide