N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
Formula:C18H12N3O2Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide |
| MolecularFormula | C18H12N3O2Cl3 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C18H12Cl3N3O2/c19-13-5-6-16(14(20)8-13)26-10-17(25)24-22-9-12-7-11-3-1-2-4-15(11)23-18(12)21/h1-9H,10H2,(H,24,25) |
| InChIK | RPFRCWKDJUQWBA-UHFFFAOYSA-N |
| TotalMolweight | 408.671 |
| Molweight | 408.671 |
| MonoisotopicMass | 406.999508 |
| CLogP | 5.0079 |
| CLogS | -6.178 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 290.37 |
| Relative PSA | 0.19623 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.2278 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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