2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetonitrile
Formula:C18H11N3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetonitrile is a drug-like molecule.
| MolName | 2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetonitrile |
| MolecularFormula | C18H11N3Cl2S |
| Smiles | N#CC(c(cc1)nnc1Sc1ccccc1)c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C18H11Cl2N3S/c19-14-7-4-8-15(20)18(14)13(11-21)16-9-10-17(23-22-16)24-12-5-2-1-3-6-12/h1-10,13H/t13-/m0/s1 |
| InChIK | WTBPAUZQFSZOPC-ZDUSSCGKSA-N |
| TotalMolweight | 372.278 |
| Molweight | 372.278 |
| MonoisotopicMass | 371.005071 |
| CLogP | 4.547 |
| CLogS | -5.215 |
| H Acceptors | 3 |
| TotalSurfaceArea | 272.84 |
| Relative PSA | 0.19422 |
| PolarSurfaceArea | 74.87 |
| Druglikeness | -4.7408 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetonitrile | 2 - 2-(2,6-dichlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetonitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off