[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl] N-phenylcarbamate
Molecular 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 |
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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