(E)-3-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide
Formula:C15H19N2O2ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide |
| MolecularFormula | C15H19N2O2ClF |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)NCC[NH+]1CCOCC1 |
| InChI | InChI=1S/C15H18ClFN2O2/c16-13-2-1-3-14(17)12(13)4-5-15(20)18-6-7-19-8-10-21-11-9-19/h1-5H,6-11H2,(H,18,20)/p+1 |
| InChIK | IAYRONXCAYSPOA-UHFFFAOYSA-O |
| TotalMolweight | 313.779 |
| Molweight | 313.779 |
| MonoisotopicMass | 313.111908 |
| CLogP | -0.3065 |
| CLogS | -2.531 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 254.14 |
| Relative PSA | 0.20497 |
| PolarSurfaceArea | 42.77 |
| Druglikeness | -3.1661 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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