(E)-3-(3,4-dichlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide
Formula:C15H19N2O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3,4-dichlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3,4-dichlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide |
| MolecularFormula | C15H19N2O2Cl2 |
| Smiles | O=C(/C=C/c(cc1)cc(Cl)c1Cl)NCC[NH+]1CCOCC1 |
| InChI | InChI=1S/C15H18Cl2N2O2/c16-13-3-1-12(11-14(13)17)2-4-15(20)18-5-6-19-7-9-21-10-8-19/h1-4,11H,5-10H2,(H,18,20)/p+1 |
| InChIK | OTOFRQGFDLTTOY-UHFFFAOYSA-O |
| TotalMolweight | 330.234 |
| Molweight | 330.234 |
| MonoisotopicMass | 329.082357 |
| CLogP | 0.1987 |
| CLogS | -2.953 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 263.21 |
| Relative PSA | 0.1979 |
| PolarSurfaceArea | 42.77 |
| Druglikeness | -1.8261 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| 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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1 - (E)-3-(3,4-dichlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide | 2 - (E)-3-(3,4-dichlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide
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