2-(5,7-dibromoquinolin-8-yl)oxy-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
Formula:C18H12N4O4Br2
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
2-(5,7-dibromoquinolin-8-yl)oxy-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(5,7-dibromoquinolin-8-yl)oxy-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C18H12N4O4Br2 |
| Smiles | [O-][N+](c1cccc(/C=N\NC(COc(c2ncccc2c(Br)c2)c2Br)=O)c1)=O |
| InChI | InChI=1S/C18H12Br2N4O4/c19-14-8-15(20)18(17-13(14)5-2-6-21-17)28-10-16(25)23-22-9-11-3-1-4-12(7-11)24(26)27/h1-9H,10H2,(H,23,25) |
| InChIK | JIGSIBGGLHVNKG-UHFFFAOYSA-N |
| TotalMolweight | 508.125 |
| Molweight | 508.125 |
| MonoisotopicMass | 505.922528 |
| CLogP | 3.6213 |
| CLogS | -6.335 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 305.04 |
| Relative PSA | 0.28652 |
| PolarSurfaceArea | 109.4 |
| Druglikeness | -2.7224 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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