(2Z)-2-(1-benzofuran-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol
Formula:C16H17NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(1-benzofuran-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol is a drug-like molecule.
| MolName | (2Z)-2-(1-benzofuran-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol |
| MolecularFormula | C16H17NO2 |
| Smiles | OC(C1CCN2CC1)/C2=C/c1cc(cccc2)c2o1 |
| InChI | InChI=1S/C16H17NO2/c18-16-11-5-7-17(8-6-11)14(16)10-13-9-12-3-1-2-4-15(12)19-13/h1-4,9-11,16,18H,5-8H2/t16-/m0/s1 |
| InChIK | OEZRTOHMPGWJNS-INIZCTEOSA-N |
| TotalMolweight | 255.316 |
| Molweight | 255.316 |
| MonoisotopicMass | 255.125929 |
| CLogP | 2.7672 |
| CLogS | -3.801 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 191.95 |
| Relative PSA | 0.16025 |
| PolarSurfaceArea | 36.61 |
| Druglikeness | 4.945 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (2Z)-2-(1-benzofuran-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol | 2 - (2Z)-2-(1-benzofuran-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol
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