[(2R)-oxolan-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone
Formula:C18H25N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(2R)-oxolan-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone is a drug-like molecule.
| MolName | [(2R)-oxolan-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone |
| MolecularFormula | C18H25N2O2 |
| Smiles | O=C([C@@H]1OCCC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C18H24N2O2/c21-18(17-9-5-15-22-17)20-13-11-19(12-14-20)10-4-8-16-6-2-1-3-7-16/h1-4,6-8,17H,5,9-15H2/p+1/t17-/m1/s1 |
| InChIK | IYHTXLDSZXHJHW-QGZVFWFLSA-O |
| TotalMolweight | 301.408 |
| Molweight | 301.408 |
| MonoisotopicMass | 301.191603 |
| CLogP | -0.0374 |
| CLogS | -1.883 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 257.73 |
| Relative PSA | 0.17142 |
| PolarSurfaceArea | 33.98 |
| Druglikeness | 2.1861 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - [(2R)-oxolan-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone | 2 - [(2R)-oxolan-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone
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