3,5-dibromo-2-hydroxy-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
Formula:C14H9N3O4Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3,5-dibromo-2-hydroxy-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 3,5-dibromo-2-hydroxy-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H9N3O4Br2 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cc(Br)cc(Br)c2O)=O)cc1)=O |
| InChI | InChI=1S/C14H9Br2N3O4/c15-9-5-11(13(20)12(16)6-9)14(21)18-17-7-8-1-3-10(4-2-8)19(22)23/h1-7,20H,(H,18,21) |
| InChIK | UNETXTNGNXAUMH-UHFFFAOYSA-N |
| TotalMolweight | 443.05 |
| Molweight | 443.05 |
| MonoisotopicMass | 440.895979 |
| CLogP | 3.3847 |
| CLogS | -5.553 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 254.27 |
| Relative PSA | 0.31278 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -2.5702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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