5-bromo-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide
Formula:C13H9N4O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C13H9N4O4Br |
| Smiles | [O-][N+](c(ccc(/C=N\NC(c1cc(Br)cnc1)=O)c1)c1O)=O |
| InChI | InChI=1S/C13H9BrN4O4/c14-10-4-9(6-15-7-10)13(20)17-16-5-8-1-2-11(18(21)22)12(19)3-8/h1-7,19H,(H,17,20) |
| InChIK | OERCPWHGUYUVBJ-UHFFFAOYSA-N |
| TotalMolweight | 365.142 |
| Molweight | 365.142 |
| MonoisotopicMass | 363.980717 |
| CLogP | 1.6586 |
| CLogS | -3.924 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 234.4 |
| Relative PSA | 0.38609 |
| PolarSurfaceArea | 120.4 |
| Druglikeness | -2.5702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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