2-(4-chloronaphthalen-1-yl)oxy-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
Formula:C19H13N2O2Cl3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-(4-chloronaphthalen-1-yl)oxy-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-chloronaphthalen-1-yl)oxy-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C19H13N2O2Cl3 |
| Smiles | O=C(COc(c1ccccc11)ccc1Cl)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C19H13Cl3N2O2/c20-13-6-5-12(17(22)9-13)10-23-24-19(25)11-26-18-8-7-16(21)14-3-1-2-4-15(14)18/h1-10H,11H2,(H,24,25) |
| InChIK | JDRALUMIAKTXPY-UHFFFAOYSA-N |
| TotalMolweight | 407.683 |
| Molweight | 407.683 |
| MonoisotopicMass | 406.004259 |
| CLogP | 5.7889 |
| CLogS | -7.315 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 291.61 |
| Relative PSA | 0.15778 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 4.2278 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - 2-(4-chloronaphthalen-1-yl)oxy-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-(4-chloronaphthalen-1-yl)oxy-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
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