(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol
Molecular Formula : C15H17NO3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol is a drug-like molecule.
MolName : (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol |
MolecularFormula : C15H17NO3 |
Smiles : OC(C1CCN2CC1)/C2=C/c(cc1)cc2c1OCO2 |
InChI : InChI=1S/C15H17NO3/c17-15-11-3-5-16(6-4-11)12(15)7-10-1-2-13-14(8-10)19-9-18-13/h1-2,7-8,11,15,17H,3-6,9H2/t15-/m0/s1 |
InChIK : GBJBJJSHFYGKAG-HNNXBMFYSA-N |
TotalMolweight : 259.304 |
Molweight : 259.304 |
MonoisotopicMass : 259.120844 |
CLogP : 2.373 |
CLogS : -3.329 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 187.92 |
Relative PSA : 0.19503 |
PolarSurfaceArea : 41.93 |
Druglikeness : 4.9552 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : |
Shape Index : 0.52632 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
StereoCenters : 1 |
Rotatable Bond : 1 |
Rings Closures : 4 |
Small Rings : 5 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 11 |
Symmetricatoms : 2 |
BasicNitrogens : 1 |
StereoCon : racemate |