MolName : (2Z)-2-(1-benzofuran-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol |
MolecularFormula : C16H17NO2 |
Smiles : OC(C1CCN2CC1)/C2=C/c1cc(cccc2)c2o1 |
InChI : InChI=1S/C16H17NO2/c18-16-11-5-7-17(8-6-11)14(16)10-13-9-12-3-1-2-4-15(12)19-13/h1-4,9-11,16,18H,5-8H2/t16-/m0/s1 |
InChIK : OEZRTOHMPGWJNS-INIZCTEOSA-N |
TotalMolweight : 255.316 |
Molweight : 255.316 |
MonoisotopicMass : 255.125929 |
CLogP : 2.7672 |
CLogS : -3.801 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 191.95 |
Relative PSA : 0.16025 |
PolarSurfaceArea : 36.61 |
Druglikeness : 4.945 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.52632 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
StereoCenters : 1 |
Rotatable Bond : 1 |
Rings Closures : 4 |
Small Rings : 5 |
Aromatic Rings : 2 |
Aromatic Atoms : 9 |
Sp3Atoms : 8 |
Symmetricatoms : 2 |
BasicNitrogens : 1 |
StereoCon : racemate |