(2Z)-2-(thiophen-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol
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 |
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1 - (2Z)-2-(thiophen-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol | 2 - (2Z)-2-(thiophen-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol
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