2-[4-(4-cyanophenyl)phenoxy]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
Formula:C21H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-(4-cyanophenyl)phenoxy]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[4-(4-cyanophenyl)phenoxy]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide |
| MolecularFormula | C21H16N4O2 |
| Smiles | N#Cc(cc1)ccc1-c(cc1)ccc1OCC(N/N=C\c1ccncc1)=O |
| InChI | InChI=1S/C21H16N4O2/c22-13-16-1-3-18(4-2-16)19-5-7-20(8-6-19)27-15-21(26)25-24-14-17-9-11-23-12-10-17/h1-12,14H,15H2,(H,25,26) |
| InChIK | RKRCZQHKWRDOJI-UHFFFAOYSA-N |
| TotalMolweight | 356.384 |
| Molweight | 356.384 |
| MonoisotopicMass | 356.127326 |
| CLogP | 3.2704 |
| CLogS | -5.565 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 290.98 |
| Relative PSA | 0.24242 |
| 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 | 0.74074 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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