5-bromo-2-hydroxy-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
Formula:C13H10N3O2Br
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
5-bromo-2-hydroxy-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 5-bromo-2-hydroxy-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide |
| MolecularFormula | C13H10N3O2Br |
| Smiles | Oc(ccc(Br)c1)c1C(N/N=C\c1ncccc1)=O |
| InChI | InChI=1S/C13H10BrN3O2/c14-9-4-5-12(18)11(7-9)13(19)17-16-8-10-3-1-2-6-15-10/h1-8,18H,(H,17,19) |
| InChIK | OFXQLUQMLVASEI-UHFFFAOYSA-N |
| TotalMolweight | 320.145 |
| Molweight | 320.145 |
| MonoisotopicMass | 318.995638 |
| CLogP | 2.6342 |
| CLogS | -3.488 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 210.73 |
| Relative PSA | 0.2851 |
| PolarSurfaceArea | 74.58 |
| Druglikeness | 2.6304 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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