2,4,5-trichloro-6-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]pyridine-3-carbonitrile
Formula:C12H6N5Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2,4,5-trichloro-6-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]pyridine-3-carbonitrile is a drug-like molecule.
| MolName | 2,4,5-trichloro-6-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]pyridine-3-carbonitrile |
| MolecularFormula | C12H6N5Cl3 |
| Smiles | N#Cc(c(Cl)nc(N/N=C\c1ccncc1)c1Cl)c1Cl |
| InChI | InChI=1S/C12H6Cl3N5/c13-9-8(5-16)11(15)19-12(10(9)14)20-18-6-7-1-3-17-4-2-7/h1-4,6H,(H,19,20) |
| InChIK | ASQZRBQOYAOLGT-UHFFFAOYSA-N |
| TotalMolweight | 326.574 |
| Molweight | 326.574 |
| MonoisotopicMass | 324.968876 |
| CLogP | 4.9415 |
| CLogS | -4.828 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 234.73 |
| Relative PSA | 0.24909 |
| PolarSurfaceArea | 73.96 |
| Druglikeness | -1.8955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2,4,5-trichloro-6-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]pyridine-3-carbonitrile | 2 - 2,4,5-trichloro-6-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]pyridine-3-carbonitrile
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