[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-phenylcarbamate
Formula:C21H20N2O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-phenylcarbamate is a drug-like molecule.
| MolName | [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-phenylcarbamate |
| MolecularFormula | C21H20N2O2ClF |
| Smiles | O=C(Nc1ccccc1)OC(C1CCN2CC1)/C2=C/c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C21H20ClFN2O2/c22-17-7-4-8-18(23)16(17)13-19-20(14-9-11-25(19)12-10-14)27-21(26)24-15-5-2-1-3-6-15/h1-8,13-14,20H,9-12H2,(H,24,26)/t20-/m0/s1 |
| InChIK | WDBVTUQTZYATPT-FQEVSTJZSA-N |
| TotalMolweight | 386.853 |
| Molweight | 386.853 |
| MonoisotopicMass | 386.119733 |
| CLogP | 4.8907 |
| CLogS | -5.764 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 282.05 |
| Relative PSA | 0.13491 |
| PolarSurfaceArea | 41.57 |
| Druglikeness | -4.753 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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 | racemate |
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1 - [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-phenylcarbamate | 2 - [(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-phenylcarbamate
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