(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
Formula:C14H16NOCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is a drug-like molecule.
| MolName | (2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol |
| MolecularFormula | C14H16NOCl |
| Smiles | OC(C1CCN2CC1)/C2=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C14H16ClNO/c15-12-4-2-1-3-11(12)9-13-14(17)10-5-7-16(13)8-6-10/h1-4,9-10,14,17H,5-8H2/t14-/m0/s1 |
| InChIK | FWQZIYFJKFBOIY-AWEZNQCLSA-N |
| TotalMolweight | 249.74 |
| Molweight | 249.74 |
| MonoisotopicMass | 249.092041 |
| CLogP | 2.8676 |
| CLogS | -3.354 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 183.08 |
| Relative PSA | 0.090944 |
| PolarSurfaceArea | 23.47 |
| Druglikeness | 5.0985 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol | 2 - (2E)-2-[(2-chlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
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