(E)-5-(3-azabicyclo[4.2.1]nonan-3-yl)-1-phenylpent-1-en-3-ol
Formula:C19H27NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-5-(3-azabicyclo[4.2.1]nonan-3-yl)-1-phenylpent-1-en-3-ol is a drug-like molecule.
| MolName | (E)-5-(3-azabicyclo[4.2.1]nonan-3-yl)-1-phenylpent-1-en-3-ol |
| MolecularFormula | C19H27NO |
| Smiles | OC(CCN1CC(CC2)CC2CC1)/C=C/c1ccccc1 |
| InChI | InChI=1S/C19H27NO/c21-19(9-8-16-4-2-1-3-5-16)11-13-20-12-10-17-6-7-18(14-17)15-20/h1-5,8-9,17-19,21H,6-7,10-15H2 |
| InChIK | JYGDXORVNYESLN-UHFFFAOYSA-N |
| TotalMolweight | 285.429 |
| Molweight | 285.429 |
| MonoisotopicMass | 285.209264 |
| CLogP | 3.6511 |
| CLogS | -3.42 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 236.99 |
| Relative PSA | 0.070256 |
| PolarSurfaceArea | 23.47 |
| Druglikeness | 2.3815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 13 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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1 - (E)-5-(3-azabicyclo[4.2.1]nonan-3-yl)-1-phenylpent-1-en-3-ol | 2 - (E)-5-(3-azabicyclo[4.2.1]nonan-3-yl)-1-phenylpent-1-en-3-ol
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