(2E)-2-[(2,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
Formula:C14H15NOCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(2,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is a drug-like molecule.
| MolName | (2E)-2-[(2,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol |
| MolecularFormula | C14H15NOCl2 |
| Smiles | OC(C1CCN2CC1)/C2=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C14H15Cl2NO/c15-11-2-1-10(12(16)8-11)7-13-14(18)9-3-5-17(13)6-4-9/h1-2,7-9,14,18H,3-6H2/t14-/m0/s1 |
| InChIK | XAHDHBCPTITANJ-AWEZNQCLSA-N |
| TotalMolweight | 284.185 |
| Molweight | 284.185 |
| MonoisotopicMass | 283.053068 |
| CLogP | 3.4736 |
| CLogS | -4.09 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 198.5 |
| Relative PSA | 0.083879 |
| PolarSurfaceArea | 23.47 |
| Druglikeness | 5.0985 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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-[(2,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol | 2 - (2E)-2-[(2,4-dichlorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
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