2-(6-chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile
Formula:C12H7N3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(6-chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile is a drug-like molecule.
| MolName | 2-(6-chloropyridazin-3-yl)-2-(2-fluorophenyl)acetonitrile |
| MolecularFormula | C12H7N3ClF |
| Smiles | N#CC(c(cccc1)c1F)c(cc1)nnc1Cl |
| InChI | InChI=1S/C12H7ClFN3/c13-12-6-5-11(16-17-12)9(7-15)8-3-1-2-4-10(8)14/h1-6,9H/t9-/m0/s1 |
| InChIK | VIUNVHHXBJJUMQ-VIFPVBQESA-N |
| TotalMolweight | 247.66 |
| Molweight | 247.66 |
| MonoisotopicMass | 247.031252 |
| CLogP | 2.2207 |
| CLogS | -3.007 |
| H Acceptors | 3 |
| TotalSurfaceArea | 186.52 |
| Relative PSA | 0.19033 |
| PolarSurfaceArea | 49.57 |
| Druglikeness | -6.6836 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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