2-(4-cyanophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
Formula:C15H12N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-cyanophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-cyanophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide |
| MolecularFormula | C15H12N4O2 |
| Smiles | N#Cc(cc1)ccc1OCC(N/N=C\c1ccncc1)=O |
| InChI | InChI=1S/C15H12N4O2/c16-9-12-1-3-14(4-2-12)21-11-15(20)19-18-10-13-5-7-17-8-6-13/h1-8,10H,11H2,(H,19,20) |
| InChIK | ZSMNRESUKDKHAX-UHFFFAOYSA-N |
| TotalMolweight | 280.286 |
| Molweight | 280.286 |
| MonoisotopicMass | 280.096026 |
| CLogP | 1.6112 |
| CLogS | -3.479 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 231.22 |
| Relative PSA | 0.30508 |
| PolarSurfaceArea | 87.37 |
| Druglikeness | -0.083437 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(4-cyanophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide | 2 - 2-(4-cyanophenoxy)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
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