2-(3-chlorophenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
Formula:C14H12N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-chlorophenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-chlorophenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide |
| MolecularFormula | C14H12N3O2Cl |
| Smiles | O=C(COc1cccc(Cl)c1)N/N=C/c1ccncc1 |
| InChI | InChI=1S/C14H12ClN3O2/c15-12-2-1-3-13(8-12)20-10-14(19)18-17-9-11-4-6-16-7-5-11/h1-9H,10H2,(H,18,19) |
| InChIK | LWZAAJNMFIEBCJ-UHFFFAOYSA-N |
| TotalMolweight | 289.721 |
| Molweight | 289.721 |
| MonoisotopicMass | 289.061804 |
| CLogP | 2.3816 |
| CLogS | -3.442 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 224.93 |
| Relative PSA | 0.25332 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.2278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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1 - 2-(3-chlorophenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide | 2 - 2-(3-chlorophenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
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