(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol
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 |
Click to Load Molecule:
1 - (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol | 2 - (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol
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