2-(4-cyanophenoxy)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide
Formula:C16H11N3O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-(4-cyanophenoxy)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-cyanophenoxy)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H11N3O2Cl2 |
| Smiles | N#Cc(cc1)ccc1OCC(N/N=C\c(c(Cl)ccc1)c1Cl)=O |
| InChI | InChI=1S/C16H11Cl2N3O2/c17-14-2-1-3-15(18)13(14)9-20-21-16(22)10-23-12-6-4-11(8-19)5-7-12/h1-7,9H,10H2,(H,21,22) |
| InChIK | QAQPRTOEEICCOX-UHFFFAOYSA-N |
| TotalMolweight | 348.188 |
| Molweight | 348.188 |
| MonoisotopicMass | 347.022831 |
| CLogP | 3.8241 |
| CLogS | -5.746 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 263.3 |
| Relative PSA | 0.22624 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -0.052232 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 2-(4-cyanophenoxy)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide | 2 - 2-(4-cyanophenoxy)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide
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