| MolName | 2-(2-chloroanilino)-N-[(Z)-[4-[(Z)-[[2-(2-chloroanilino)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide |
| MolecularFormula | C24H22N6O2Cl2 |
| Smiles | O=C(CNc(cccc1)c1Cl)N/N=C\c1ccc(/C=N\NC(CNc(cccc2)c2Cl)=O)cc1 |
| InChI | InChI=1S/C24H22Cl2N6O2/c25-19-5-1-3-7-21(19)27-15-23(33)31-29-13-17-9-11-18(12-10-17)14-30-32-24(34)16-28-22-8-4-2-6-20(22)26/h1-14,27-28H,15-16H2,(H,31,33)(H,32,34) |
| InChIK | SBBDLNPYZNTXEK-UHFFFAOYSA-N |
| TotalMolweight | 497.385 |
| Molweight | 497.385 |
| MonoisotopicMass | 496.118128 |
| CLogP | 4.5394 |
| CLogS | -6.942 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 382 |
| Relative PSA | 0.24853 |
| PolarSurfaceArea | 106.98 |
| Druglikeness | 5.0457 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 18 |
| Amines | 2 |
| Aromatic Amines | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-(2-chloroanilino)-N-[(Z)-[4-[(Z)-[[2-(2-chloroanilino)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide | 2 - 2-(2-chloroanilino)-N-[(Z)-[4-[(Z)-[[2-(2-chloroanilino)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide