2,4-dichloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide
Formula:C19H19N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dichloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2,4-dichloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide |
| MolecularFormula | C19H19N3OCl2 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N/N=C\c(cc1)ccc1N1CCCCC1 |
| InChI | InChI=1S/C19H19Cl2N3O/c20-15-6-9-17(18(21)12-15)19(25)23-22-13-14-4-7-16(8-5-14)24-10-2-1-3-11-24/h4-9,12-13H,1-3,10-11H2,(H,23,25) |
| InChIK | FHKUWEYGUKKNLX-UHFFFAOYSA-N |
| TotalMolweight | 376.286 |
| Molweight | 376.286 |
| MonoisotopicMass | 375.090516 |
| CLogP | 5.2466 |
| CLogS | -6.185 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 283.43 |
| Relative PSA | 0.13958 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 4.412 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2,4-dichloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide | 2 - 2,4-dichloro-N-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]benzamide
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