(Z)-N-benzhydryloxy-1-azabicyclo[2.2.2]octan-3-imine
Formula:C20H22N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-benzhydryloxy-1-azabicyclo[2.2.2]octan-3-imine is a drug-like molecule.
| MolName | (Z)-N-benzhydryloxy-1-azabicyclo[2.2.2]octan-3-imine |
| MolecularFormula | C20H22N2O |
| Smiles | C(CN(CC1)C2)C1/C2=N/OC(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C20H22N2O/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)23-21-19-15-22-13-11-16(19)12-14-22/h1-10,16,20H,11-15H2 |
| InChIK | QBQZCWNJZPUFGJ-UHFFFAOYSA-N |
| TotalMolweight | 306.408 |
| Molweight | 306.408 |
| MonoisotopicMass | 306.173213 |
| CLogP | 4.3799 |
| CLogS | -3.653 |
| H Acceptors | 3 |
| TotalSurfaceArea | 243.09 |
| Relative PSA | 0.10309 |
| PolarSurfaceArea | 24.83 |
| Druglikeness | 6.2069 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (Z)-N-benzhydryloxy-1-azabicyclo[2.2.2]octan-3-imine | 2 - (Z)-N-benzhydryloxy-1-azabicyclo[2.2.2]octan-3-imine
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