2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl (E)-3-phenylprop-2-enoate
Formula:C19H25NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl (E)-3-phenylprop-2-enoate |
| MolecularFormula | C19H25NO2 |
| Smiles | O=C(/C=C/c1ccccc1)OCC1C(CCCC2)N2CCC1 |
| InChI | InChI=1S/C19H25NO2/c21-19(12-11-16-7-2-1-3-8-16)22-15-17-9-6-14-20-13-5-4-10-18(17)20/h1-3,7-8,11-12,17-18H,4-6,9-10,13-15H2 |
| InChIK | ZSWODZQPBXFMTI-UHFFFAOYSA-N |
| TotalMolweight | 299.412 |
| Molweight | 299.412 |
| MonoisotopicMass | 299.188529 |
| CLogP | 3.4693 |
| CLogS | -3.4 |
| H Acceptors | 3 |
| TotalSurfaceArea | 245.89 |
| Relative PSA | 0.10814 |
| PolarSurfaceArea | 29.54 |
| Druglikeness | -1.451 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| 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-phenylprop-2-enoate | 2 - 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl (E)-3-phenylprop-2-enoate
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