| MolName | N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide |
| MolecularFormula | C23H20N2O2Cl2 |
| Smiles | O=C(CCc1ccccc1)N/N=C\c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C23H20Cl2N2O2/c24-20-10-9-19(22(25)14-20)16-29-21-11-6-18(7-12-21)15-26-27-23(28)13-8-17-4-2-1-3-5-17/h1-7,9-12,14-15H,8,13,16H2,(H,27,28) |
| InChIK | CZYWSHCSCFZFOA-UHFFFAOYSA-N |
| TotalMolweight | 427.33 |
| Molweight | 427.33 |
| MonoisotopicMass | 426.090182 |
| CLogP | 6.2142 |
| CLogS | -6.769 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 328.87 |
| Relative PSA | 0.1399 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.9149 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide | 2 - N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylpropanamide