2-(6-chloropyridazin-3-yl)-2-phenylacetonitrile
Formula:C12H8N3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(6-chloropyridazin-3-yl)-2-phenylacetonitrile is a drug-like molecule.
| MolName | 2-(6-chloropyridazin-3-yl)-2-phenylacetonitrile |
| MolecularFormula | C12H8N3Cl |
| Smiles | N#CC(c1ccccc1)c(cc1)nnc1Cl |
| InChI | InChI=1S/C12H8ClN3/c13-12-7-6-11(15-16-12)10(8-14)9-4-2-1-3-5-9/h1-7,10H/t10-/m0/s1 |
| InChIK | AVFQUMVXIBTANI-JTQLQIEISA-N |
| TotalMolweight | 229.67 |
| Molweight | 229.67 |
| MonoisotopicMass | 229.040674 |
| CLogP | 2.1199 |
| CLogS | -2.693 |
| H Acceptors | 3 |
| TotalSurfaceArea | 180.17 |
| Relative PSA | 0.19704 |
| PolarSurfaceArea | 49.57 |
| Druglikeness | -5.3436 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
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