[(2Z,3S)-2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-phenylcarbamate
Formula:C21H21N2O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
[(2Z,3S)-2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-phenylcarbamate is a drug-like molecule.
| MolName | [(2Z,3S)-2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-phenylcarbamate |
| MolecularFormula | C21H21N2O2F |
| Smiles | O=C(Nc1ccccc1)O[C@@H](C1CCN2CC1)/C2=C/c(cccc1)c1F |
| InChI | InChI=1S/C21H21FN2O2/c22-18-9-5-4-6-16(18)14-19-20(15-10-12-24(19)13-11-15)26-21(25)23-17-7-2-1-3-8-17/h1-9,14-15,20H,10-13H2,(H,23,25)/t20-/m0/s1 |
| InChIK | PKJFIIDWAYSGIP-FQEVSTJZSA-N |
| TotalMolweight | 352.408 |
| Molweight | 352.408 |
| MonoisotopicMass | 352.158706 |
| CLogP | 4.2847 |
| CLogS | -5.028 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 266.63 |
| Relative PSA | 0.14271 |
| PolarSurfaceArea | 41.57 |
| Druglikeness | -4.7981 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - [(2Z,3S)-2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-phenylcarbamate | 2 - [(2Z,3S)-2-[(2-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-phenylcarbamate
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