2-(2,4-dichlorophenoxy)-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
Formula:C19H19N3O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(2,4-dichlorophenoxy)-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2,4-dichlorophenoxy)-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide |
| MolecularFormula | C19H19N3O2Cl2 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c(cc1)ccc1N1CCCC1 |
| InChI | InChI=1S/C19H19Cl2N3O2/c20-15-5-8-18(17(21)11-15)26-13-19(25)23-22-12-14-3-6-16(7-4-14)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10,13H2,(H,23,25) |
| InChIK | LNPWPVOBVXVTSV-UHFFFAOYSA-N |
| TotalMolweight | 392.285 |
| Molweight | 392.285 |
| MonoisotopicMass | 391.085431 |
| CLogP | 4.4795 |
| CLogS | -5.695 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 293.43 |
| Relative PSA | 0.1689 |
| PolarSurfaceArea | 53.93 |
| Druglikeness | 5.6918 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(2,4-dichlorophenoxy)-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide | 2 - 2-(2,4-dichlorophenoxy)-N-[(Z)-(4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
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