(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-phenylacetonitrile
Formula:C15H16N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-phenylacetonitrile is a drug-like molecule.
| MolName | (2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-phenylacetonitrile |
| MolecularFormula | C15H16N2 |
| Smiles | N#C/C(/c1ccccc1)=C1/C(CC2)CCN2C1 |
| InChI | InChI=1S/C15H16N2/c16-10-14(12-4-2-1-3-5-12)15-11-17-8-6-13(15)7-9-17/h1-5,13H,6-9,11H2 |
| InChIK | BUIDKUNZHWUHMI-UHFFFAOYSA-N |
| TotalMolweight | 224.306 |
| Molweight | 224.306 |
| MonoisotopicMass | 224.131348 |
| CLogP | 2.3429 |
| CLogS | -2.31 |
| H Acceptors | 2 |
| TotalSurfaceArea | 182.49 |
| Relative PSA | 0.093759 |
| PolarSurfaceArea | 27.03 |
| Druglikeness | 1.0085 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-phenylacetonitrile | 2 - (2Z)-2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-phenylacetonitrile
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