N-[(Z)-thiophen-3-ylmethylideneamino]pyridine-2-carboxamide
Formula:C11H9N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-thiophen-3-ylmethylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-thiophen-3-ylmethylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C11H9N3OS |
| Smiles | O=C(c1ncccc1)N/N=C\c1cscc1 |
| InChI | InChI=1S/C11H9N3OS/c15-11(10-3-1-2-5-12-10)14-13-7-9-4-6-16-8-9/h1-8H,(H,14,15) |
| InChIK | COYSMELCRUFHGH-UHFFFAOYSA-N |
| TotalMolweight | 231.278 |
| Molweight | 231.278 |
| MonoisotopicMass | 231.046632 |
| CLogP | 2.0391 |
| CLogS | -2.85 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 181.69 |
| Relative PSA | 0.37063 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 4.9176 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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