2-(2-bromo-4-nitrophenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
Formula:C14H11N4O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-bromo-4-nitrophenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-bromo-4-nitrophenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide |
| MolecularFormula | C14H11N4O4Br |
| Smiles | [O-][N+](c(cc1)cc(Br)c1OCC(N/N=C/c1ccncc1)=O)=O |
| InChI | InChI=1S/C14H11BrN4O4/c15-12-7-11(19(21)22)1-2-13(12)23-9-14(20)18-17-8-10-3-5-16-6-4-10/h1-8H,9H2,(H,18,20) |
| InChIK | AOPFILUNZGWVKJ-UHFFFAOYSA-N |
| TotalMolweight | 379.169 |
| Molweight | 379.169 |
| MonoisotopicMass | 377.996367 |
| CLogP | 1.5792 |
| CLogS | -4 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 251.81 |
| Relative PSA | 0.34709 |
| PolarSurfaceArea | 109.4 |
| Druglikeness | -2.7224 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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