N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
Formula:C15H10N3O4BrCl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide |
| MolecularFormula | C15H10N3O4BrCl2 |
| Smiles | [O-][N+](c(cc(/C=N\NC(COc(cc(cc1)Cl)c1Cl)=O)cc1)c1Br)=O |
| InChI | InChI=1S/C15H10BrCl2N3O4/c16-11-3-1-9(5-13(11)21(23)24)7-19-20-15(22)8-25-14-6-10(17)2-4-12(14)18/h1-7H,8H2,(H,20,22) |
| InChIK | YEMWPEDPNVILEN-UHFFFAOYSA-N |
| TotalMolweight | 447.071 |
| Molweight | 447.071 |
| MonoisotopicMass | 444.923172 |
| CLogP | 3.7921 |
| CLogS | -6.267 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 283.89 |
| Relative PSA | 0.26922 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -2.6793 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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