6-[(2Z)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile
Formula:C13H7N4Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
6-[(2Z)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile is not a drug-like molecule.
| MolName | 6-[(2Z)-2-benzylidenehydrazinyl]-2,4,5-trichloropyridine-3-carbonitrile |
| MolecularFormula | C13H7N4Cl3 |
| Smiles | N#Cc(c(Cl)nc(N/N=C\c1ccccc1)c1Cl)c1Cl |
| InChI | InChI=1S/C13H7Cl3N4/c14-10-9(6-17)12(16)19-13(11(10)15)20-18-7-8-4-2-1-3-5-8/h1-5,7H,(H,19,20) |
| InChIK | KYQWHMPSDLOJMD-UHFFFAOYSA-N |
| TotalMolweight | 325.586 |
| Molweight | 325.586 |
| MonoisotopicMass | 323.973627 |
| CLogP | 5.9424 |
| CLogS | -5.623 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 235.97 |
| Relative PSA | 0.2013 |
| PolarSurfaceArea | 61.07 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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