2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]acetamide
Formula:C18H12N3O2BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]acetamide |
| MolecularFormula | C18H12N3O2BrCl2 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Br)N/N=C\c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C18H12BrCl2N3O2/c19-14-8-13(20)5-6-16(14)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 | NEAAWDOLJRVMRA-UHFFFAOYSA-N |
| TotalMolweight | 453.122 |
| Molweight | 453.122 |
| MonoisotopicMass | 450.948992 |
| CLogP | 5.1271 |
| CLogS | -6.276 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 293.58 |
| Relative PSA | 0.19409 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 2.4378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| 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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1 - 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]acetamide | 2 - 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]acetamide
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