N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
Formula:C18H11N3O2Br3Cl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide |
| MolecularFormula | C18H11N3O2Br3Cl |
| Smiles | O=C(COc(c(Br)cc(Br)c1)c1Br)N/N=C\c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C18H11Br3ClN3O2/c19-12-6-13(20)17(14(21)7-12)27-9-16(26)25-23-8-11-5-10-3-1-2-4-15(10)24-18(11)22/h1-8H,9H2,(H,25,26) |
| InChIK | HYNNJRPPWDHJAO-UHFFFAOYSA-N |
| TotalMolweight | 576.469 |
| Molweight | 576.469 |
| MonoisotopicMass | 572.808987 |
| CLogP | 5.9715 |
| CLogS | -7.208 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 315.42 |
| Relative PSA | 0.18065 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 2.4378 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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