2-(6-chloropyridazin-3-yl)-2-(2,4-dichlorophenyl)acetonitrile
Formula:C12H6N3Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(6-chloropyridazin-3-yl)-2-(2,4-dichlorophenyl)acetonitrile is a drug-like molecule.
| MolName | 2-(6-chloropyridazin-3-yl)-2-(2,4-dichlorophenyl)acetonitrile |
| MolecularFormula | C12H6N3Cl3 |
| Smiles | N#CC(c(ccc(Cl)c1)c1Cl)c(cc1)nnc1Cl |
| InChI | InChI=1S/C12H6Cl3N3/c13-7-1-2-8(10(14)5-7)9(6-16)11-3-4-12(15)18-17-11/h1-5,9H/t9-/m0/s1 |
| InChIK | FAOVXZQPGCBKSJ-VIFPVBQESA-N |
| TotalMolweight | 298.56 |
| Molweight | 298.56 |
| MonoisotopicMass | 296.962728 |
| CLogP | 3.3319 |
| CLogS | -4.165 |
| H Acceptors | 3 |
| TotalSurfaceArea | 211.01 |
| Relative PSA | 0.16824 |
| PolarSurfaceArea | 49.57 |
| Druglikeness | -5.3436 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
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1 - 2-(6-chloropyridazin-3-yl)-2-(2,4-dichlorophenyl)acetonitrile | 2 - 2-(6-chloropyridazin-3-yl)-2-(2,4-dichlorophenyl)acetonitrile
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