1-azabicyclo[2.2.2]octan-3-yl (E)-3-(furan-2-yl)prop-2-enoate
Molecular Formula : C14H17NO3 | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |1-azabicyclo[2.2.2]octan-3-yl (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
MolName : 1-azabicyclo[2.2.2]octan-3-yl (E)-3-(furan-2-yl)prop-2-enoate |
MolecularFormula : C14H17NO3 |
Smiles : O=C(/C=C/c1ccco1)OC1C(CC2)CCN2C1 |
InChI : InChI=1S/C14H17NO3/c16-14(4-3-12-2-1-9-17-12)18-13-10-15-7-5-11(13)6-8-15/h1-4,9,11,13H,5-8,10H2/t13-/m0/s1 |
InChIK : BXLLWYMUFPXEET-ZDUSSCGKSA-N |
TotalMolweight : 247.293 |
Molweight : 247.293 |
MonoisotopicMass : 247.120844 |
CLogP : 1.7239 |
CLogS : -2.272 |
H Acceptors : 4 |
TotalSurfaceArea : 194.3 |
Relative PSA : 0.20947 |
PolarSurfaceArea : 42.68 |
Druglikeness : 2.7186 |
Mutagenic : high |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.61111 |
Fragments : 1 |
Non HAtoms : 18 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
StereoCenters : 1 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 4 |
Aromatic Rings : 1 |
Aromatic Atoms : 5 |
Sp3Atoms : 9 |
Symmetricatoms : 2 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : racemate |