4-bromo-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide
Formula:C14H10N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H10N3O4Br |
| Smiles | [O-][N+](c(cc1)c(/C=N/NC(c(cc2)ccc2Br)=O)cc1O)=O |
| InChI | InChI=1S/C14H10BrN3O4/c15-11-3-1-9(2-4-11)14(20)17-16-8-10-7-12(19)5-6-13(10)18(21)22/h1-8,19H,(H,17,20) |
| InChIK | LJVLIDRYOZCHIP-UHFFFAOYSA-N |
| TotalMolweight | 364.154 |
| Molweight | 364.154 |
| MonoisotopicMass | 362.985468 |
| CLogP | 2.6595 |
| CLogS | -4.719 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 235.64 |
| Relative PSA | 0.33751 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -2.5702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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