2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl (E)-3-(furan-2-yl)prop-2-enoate
Formula:C17H23NO3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C17H23NO3 |
| Smiles | O=C(/C=C/c1ccco1)OCC1C(CCCC2)N2CCC1 |
| InChI | InChI=1S/C17H23NO3/c19-17(9-8-15-6-4-12-20-15)21-13-14-5-3-11-18-10-2-1-7-16(14)18/h4,6,8-9,12,14,16H,1-3,5,7,10-11,13H2 |
| InChIK | NXLHVPKRTYHUOA-UHFFFAOYSA-N |
| TotalMolweight | 289.374 |
| Molweight | 289.374 |
| MonoisotopicMass | 289.167794 |
| CLogP | 2.658 |
| CLogS | -3.082 |
| H Acceptors | 4 |
| TotalSurfaceArea | 235.58 |
| Relative PSA | 0.17277 |
| PolarSurfaceArea | 42.68 |
| Druglikeness | -1.3832 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 12 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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1 - 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl (E)-3-(furan-2-yl)prop-2-enoate | 2 - 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl (E)-3-(furan-2-yl)prop-2-enoate
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