N-[(Z)-pyridin-4-ylmethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
Formula:C14H10N3O2Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-pyridin-4-ylmethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-4-ylmethylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide |
| MolecularFormula | C14H10N3O2Cl3 |
| Smiles | O=C(COc(c(Cl)c1)cc(Cl)c1Cl)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C14H10Cl3N3O2/c15-10-5-12(17)13(6-11(10)16)22-8-14(21)20-19-7-9-1-3-18-4-2-9/h1-7H,8H2,(H,20,21) |
| InChIK | AIUDPFJKVFDWNA-UHFFFAOYSA-N |
| TotalMolweight | 358.611 |
| Molweight | 358.611 |
| MonoisotopicMass | 356.983858 |
| CLogP | 3.5936 |
| CLogS | -4.914 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 255.77 |
| Relative PSA | 0.22278 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.2278 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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