(2Z)-2-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Molecular Formula : C20H19NO | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(2Z)-2-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one is a drug-like molecule.
MolName : (2Z)-2-[(4-phenylphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one |
MolecularFormula : C20H19NO |
Smiles : O=C(C1CCN2CC1)/C2=C/c(cc1)ccc1-c1ccccc1 |
InChI : InChI=1S/C20H19NO/c22-20-18-10-12-21(13-11-18)19(20)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,14,18H,10-13H2 |
InChIK : MNRTUFOKVZOHLS-UHFFFAOYSA-N |
TotalMolweight : 289.377 |
Molweight : 289.377 |
MonoisotopicMass : 289.146664 |
CLogP : 4.0645 |
CLogS : -4.755 |
H Acceptors : 2 |
TotalSurfaceArea : 226.32 |
Relative PSA : 0.073303 |
PolarSurfaceArea : 20.31 |
Druglikeness : 5.6169 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.59091 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 2 |
Electronegative Atoms : 2 |
Rotatable Bond : 2 |
Rings Closures : 4 |
Small Rings : 5 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 6 |
Symmetricatoms : 6 |
BasicNitrogens : 1 |
StereoCon : |