(2E)-2-(furan-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
Formula:C12H13NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-(furan-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one is a drug-like molecule.
| MolName | (2E)-2-(furan-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one |
| MolecularFormula | C12H13NO2 |
| Smiles | O=C(C1CCN2CC1)/C2=C\c1cocc1 |
| InChI | InChI=1S/C12H13NO2/c14-12-10-1-4-13(5-2-10)11(12)7-9-3-6-15-8-9/h3,6-8,10H,1-2,4-5H2 |
| InChIK | APTWHAORRBVWBO-UHFFFAOYSA-N |
| TotalMolweight | 203.24 |
| Molweight | 203.24 |
| MonoisotopicMass | 203.094629 |
| CLogP | 1.54 |
| CLogS | -2.327 |
| H Acceptors | 3 |
| TotalSurfaceArea | 156.25 |
| Relative PSA | 0.19648 |
| PolarSurfaceArea | 33.45 |
| Druglikeness | 5.178 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (2E)-2-(furan-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one | 2 - (2E)-2-(furan-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
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