(E)-5-(3-azabicyclo[4.2.1]nonan-3-yl)-1-phenylpent-1-en-3-one
Formula:C19H25NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-5-(3-azabicyclo[4.2.1]nonan-3-yl)-1-phenylpent-1-en-3-one is a drug-like molecule.
| MolName | (E)-5-(3-azabicyclo[4.2.1]nonan-3-yl)-1-phenylpent-1-en-3-one |
| MolecularFormula | C19H25NO |
| Smiles | O=C(CCN1CC(CC2)CC2CC1)/C=C/c1ccccc1 |
| InChI | InChI=1S/C19H25NO/c21-19(9-8-16-4-2-1-3-5-16)11-13-20-12-10-17-6-7-18(14-17)15-20/h1-5,8-9,17-18H,6-7,10-15H2 |
| InChIK | LFRNWLJAAPXIII-UHFFFAOYSA-N |
| TotalMolweight | 283.414 |
| Molweight | 283.414 |
| MonoisotopicMass | 283.193614 |
| CLogP | 3.6199 |
| CLogS | -3.471 |
| H Acceptors | 2 |
| TotalSurfaceArea | 235.89 |
| Relative PSA | 0.070329 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 2.7698 |
| 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 | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (E)-5-(3-azabicyclo[4.2.1]nonan-3-yl)-1-phenylpent-1-en-3-one | 2 - (E)-5-(3-azabicyclo[4.2.1]nonan-3-yl)-1-phenylpent-1-en-3-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off