(E)-3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
Formula:C15H19N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide |
| MolecularFormula | C15H19N2O2Br |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)NCCN1CCOCC1 |
| InChI | InChI=1S/C15H19BrN2O2/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) |
| InChIK | ZVCNDBGTXORSAL-UHFFFAOYSA-N |
| TotalMolweight | 339.232 |
| Molweight | 339.232 |
| MonoisotopicMass | 338.062989 |
| CLogP | 1.8216 |
| CLogS | -2.315 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 236.96 |
| Relative PSA | 0.16058 |
| PolarSurfaceArea | 41.57 |
| Druglikeness | 0.60343 |
| 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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