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 : |