(2Z)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol
Molecular Formula : C18H18NO2Cl | Mutagenic : low | Tumorigenic : high | Reproductive Effective : none |(2Z)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol is a drug-like molecule.
MolName : (2Z)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-1-azabicyclo[2.2.2]octan-3-ol |
MolecularFormula : C18H18NO2Cl |
Smiles : OC(C1CCN2CC1)/C2=C/c1ccc(-c(cc2)ccc2Cl)o1 |
InChI : InChI=1S/C18H18ClNO2/c19-14-3-1-12(2-4-14)17-6-5-15(22-17)11-16-18(21)13-7-9-20(16)10-8-13/h1-6,11,13,18,21H,7-10H2/t18-/m0/s1 |
InChIK : RNNIXJCZFLCQKU-SFHVURJKSA-N |
TotalMolweight : 315.799 |
Molweight : 315.799 |
MonoisotopicMass : 315.102606 |
CLogP : 3.8065 |
CLogS : -4.814 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 232.53 |
Relative PSA : 0.13228 |
PolarSurfaceArea : 36.61 |
Druglikeness : 5.8739 |
Mutagenic : low |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.59091 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
StereoCenters : 1 |
Rotatable Bond : 2 |
Rings Closures : 4 |
Small Rings : 5 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 8 |
Symmetricatoms : 4 |
BasicNitrogens : 1 |
StereoCon : racemate |