4-(2,4-dichlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]butanamide
Formula:C16H15N3O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-(2,4-dichlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]butanamide is a drug-like molecule.
| MolName | 4-(2,4-dichlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]butanamide |
| MolecularFormula | C16H15N3O2Cl2 |
| Smiles | O=C(CCCOc(ccc(Cl)c1)c1Cl)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C16H15Cl2N3O2/c17-13-3-4-15(14(18)10-13)23-9-1-2-16(22)21-20-11-12-5-7-19-8-6-12/h3-8,10-11H,1-2,9H2,(H,21,22) |
| InChIK | UKISANPUAIZPGJ-UHFFFAOYSA-N |
| TotalMolweight | 352.22 |
| Molweight | 352.22 |
| MonoisotopicMass | 351.054131 |
| CLogP | 3.8964 |
| CLogS | -4.718 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 267.87 |
| Relative PSA | 0.21272 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 0.089105 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-(2,4-dichlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]butanamide | 2 - 4-(2,4-dichlorophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]butanamide
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