4-amino-3,5,6-trichloro-N-[(Z)-pyridin-4-ylmethylideneamino]pyridine-2-carboxamide
Formula:C12H8N5OCl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
4-amino-3,5,6-trichloro-N-[(Z)-pyridin-4-ylmethylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | 4-amino-3,5,6-trichloro-N-[(Z)-pyridin-4-ylmethylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C12H8N5OCl3 |
| Smiles | Nc(c(Cl)c(C(N/N=C\c1ccncc1)=O)nc1Cl)c1Cl |
| InChI | InChI=1S/C12H8Cl3N5O/c13-7-9(16)8(14)11(15)19-10(7)12(21)20-18-5-6-1-3-17-4-2-6/h1-5H,(H2,16,19)(H,20,21) |
| InChIK | YDCPASIUQNWJJW-UHFFFAOYSA-N |
| TotalMolweight | 344.589 |
| Molweight | 344.589 |
| MonoisotopicMass | 342.979441 |
| CLogP | 2.4919 |
| CLogS | -4.202 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 239.29 |
| Relative PSA | 0.30599 |
| PolarSurfaceArea | 93.26 |
| Druglikeness | 4.4006 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-amino-3,5,6-trichloro-N-[(Z)-pyridin-4-ylmethylideneamino]pyridine-2-carboxamide | 2 - 4-amino-3,5,6-trichloro-N-[(Z)-pyridin-4-ylmethylideneamino]pyridine-2-carboxamide
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