(2Z)-2-(thiophen-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol
Molecular Formula : C12H15NOS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(2Z)-2-(thiophen-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol is a drug-like molecule.
MolName : (2Z)-2-(thiophen-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol |
MolecularFormula : C12H15NOS |
Smiles : OC(C1CCN2CC1)/C2=C/c1cscc1 |
InChI : InChI=1S/C12H15NOS/c14-12-10-1-4-13(5-2-10)11(12)7-9-3-6-15-8-9/h3,6-8,10,12,14H,1-2,4-5H2/t12-/m0/s1 |
InChIK : HNBVTNPDDZRELH-LBPRGKRZSA-N |
TotalMolweight : 221.323 |
Molweight : 221.323 |
MonoisotopicMass : 221.087434 |
CLogP : 2.046 |
CLogS : -2.518 |
H Acceptors : 2 |
H Donors : 1 |
TotalSurfaceArea : 163.6 |
Relative PSA : 0.22622 |
PolarSurfaceArea : 51.71 |
Druglikeness : 5.3136 |
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 |
StereoCenters : 1 |
Rotatable Bond : 1 |
Rings Closures : 3 |
Small Rings : 4 |
Aromatic Rings : 1 |
Aromatic Atoms : 5 |
Sp3Atoms : 8 |
Symmetricatoms : 2 |
BasicNitrogens : 1 |
StereoCon : racemate |