2-(2,4-dichlorophenoxy)-N-[(Z)-3-phenylpropylideneamino]acetamide
Formula:C17H16N2O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(2,4-dichlorophenoxy)-N-[(Z)-3-phenylpropylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2,4-dichlorophenoxy)-N-[(Z)-3-phenylpropylideneamino]acetamide |
| MolecularFormula | C17H16N2O2Cl2 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\CCc1ccccc1 |
| InChI | InChI=1S/C17H16Cl2N2O2/c18-14-8-9-16(15(19)11-14)23-12-17(22)21-20-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2,(H,21,22) |
| InChIK | BRKZKZBAMSMTIK-UHFFFAOYSA-N |
| TotalMolweight | 351.232 |
| Molweight | 351.232 |
| MonoisotopicMass | 350.058882 |
| CLogP | 4.1301 |
| CLogS | -5.13 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 269.11 |
| Relative PSA | 0.17097 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 3.0795 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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