(2Z)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-ol
Formula:C14H17NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-ol is a drug-like molecule.
| MolName | (2Z)-2-benzylidene-1-azabicyclo[2.2.2]octan-3-ol |
| MolecularFormula | C14H17NO |
| Smiles | OC(C1CCN2CC1)/C2=C/c1ccccc1 |
| InChI | InChI=1S/C14H17NO/c16-14-12-6-8-15(9-7-12)13(14)10-11-4-2-1-3-5-11/h1-5,10,12,14,16H,6-9H2/b13-10-/t14-/m0/s1 |
| InChIK | XCJLSGXSDDYLKZ-ZVHGMHCTSA-N |
| TotalMolweight | 215.295 |
| Molweight | 215.295 |
| MonoisotopicMass | 215.131014 |
| CLogP | 2.2616 |
| CLogS | -2.618 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 167.66 |
| Relative PSA | 0.099308 |
| PolarSurfaceArea | 23.47 |
| Druglikeness | 5.0663 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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