(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol
Molecular Formula : C21H23NO2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol is a drug-like molecule.
MolName : (2Z)-2-[(3-phenylmethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-ol |
MolecularFormula : C21H23NO2 |
Smiles : OC(C1CCN2CC1)/C2=C/c1cccc(OCc2ccccc2)c1 |
InChI : InChI=1S/C21H23NO2/c23-21-18-9-11-22(12-10-18)20(21)14-17-7-4-8-19(13-17)24-15-16-5-2-1-3-6-16/h1-8,13-14,18,21,23H,9-12,15H2/t21-/m0/s1 |
InChIK : TZPWXBIINWJEEC-NRFANRHFSA-N |
TotalMolweight : 321.419 |
Molweight : 321.419 |
MonoisotopicMass : 321.172879 |
CLogP : 3.6097 |
CLogS : -3.959 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 251.18 |
Relative PSA : 0.1061 |
PolarSurfaceArea : 32.7 |
Druglikeness : 4.7939 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.58333 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
StereoCenters : 1 |
Rotatable Bond : 4 |
Rings Closures : 4 |
Small Rings : 5 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 10 |
Symmetricatoms : 4 |
BasicNitrogens : 1 |
StereoCon : racemate |