5-bromo-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-3-carboxamide
Formula:C11H7N4O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C11H7N4O3BrS |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c2cc(Br)cnc2)=O)s1)=O |
| InChI | InChI=1S/C11H7BrN4O3S/c12-8-3-7(4-13-5-8)11(17)15-14-6-9-1-2-10(20-9)16(18)19/h1-6H,(H,15,17) |
| InChIK | YEDSXCJEAFAHKT-UHFFFAOYSA-N |
| TotalMolweight | 355.172 |
| Molweight | 355.172 |
| MonoisotopicMass | 353.942222 |
| CLogP | 2.0605 |
| CLogS | -4.38 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 223.99 |
| Relative PSA | 0.43645 |
| PolarSurfaceArea | 128.41 |
| Druglikeness | -1.336 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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