(E)-3-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide
Formula:C15H20N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide |
| MolecularFormula | C15H20N2O2Cl |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)NCC[NH+]1CCOCC1 |
| InChI | InChI=1S/C15H19ClN2O2/c16-14-4-1-13(2-5-14)3-6-15(19)17-7-8-18-9-11-20-12-10-18/h1-6H,7-12H2,(H,17,19)/p+1 |
| InChIK | OXXYAQMRHNUGGX-UHFFFAOYSA-O |
| TotalMolweight | 295.789 |
| Molweight | 295.789 |
| MonoisotopicMass | 295.12133 |
| CLogP | -0.4073 |
| CLogS | -2.217 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 247.79 |
| Relative PSA | 0.21022 |
| PolarSurfaceArea | 42.77 |
| Druglikeness | -1.8261 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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