2,6-dichloro-N-[(Z)-thiophen-2-ylmethylideneamino]pyridine-4-carboxamide
Formula:C11H7N3OCl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2,6-dichloro-N-[(Z)-thiophen-2-ylmethylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | 2,6-dichloro-N-[(Z)-thiophen-2-ylmethylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C11H7N3OCl2S |
| Smiles | O=C(c1cc(Cl)nc(Cl)c1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C11H7Cl2N3OS/c12-9-4-7(5-10(13)15-9)11(17)16-14-6-8-2-1-3-18-8/h1-6H,(H,16,17) |
| InChIK | KNAUFGFNCCUJMU-UHFFFAOYSA-N |
| TotalMolweight | 300.169 |
| Molweight | 300.169 |
| MonoisotopicMass | 298.968686 |
| CLogP | 3.4741 |
| CLogS | -3.934 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 212.53 |
| Relative PSA | 0.31685 |
| PolarSurfaceArea | 82.59 |
| Druglikeness | 6.003 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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