MolName : (2E)-2-(furan-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one |
MolecularFormula : C12H13NO2 |
Smiles : O=C(C1CCN2CC1)/C2=C\c1cocc1 |
InChI : InChI=1S/C12H13NO2/c14-12-10-1-4-13(5-2-10)11(12)7-9-3-6-15-8-9/h3,6-8,10H,1-2,4-5H2 |
InChIK : APTWHAORRBVWBO-UHFFFAOYSA-N |
TotalMolweight : 203.24 |
Molweight : 203.24 |
MonoisotopicMass : 203.094629 |
CLogP : 1.54 |
CLogS : -2.327 |
H Acceptors : 3 |
TotalSurfaceArea : 156.25 |
Relative PSA : 0.19648 |
PolarSurfaceArea : 33.45 |
Druglikeness : 5.178 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.53333 |
Fragments : 1 |
Non HAtoms : 15 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 1 |
Rings Closures : 3 |
Small Rings : 4 |
Aromatic Rings : 1 |
Aromatic Atoms : 5 |
Sp3Atoms : 6 |
Symmetricatoms : 2 |
BasicNitrogens : 1 |
StereoCon : |