(E)-3-(3,4-dichlorophenyl)-N-morpholin-4-ylprop-2-enamide
Formula:C13H14N2O2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(3,4-dichlorophenyl)-N-morpholin-4-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3,4-dichlorophenyl)-N-morpholin-4-ylprop-2-enamide |
| MolecularFormula | C13H14N2O2Cl2 |
| Smiles | O=C(/C=C/c(cc1)cc(Cl)c1Cl)NN1CCOCC1 |
| InChI | InChI=1S/C13H14Cl2N2O2/c14-11-3-1-10(9-12(11)15)2-4-13(18)16-17-5-7-19-8-6-17/h1-4,9H,5-8H2,(H,16,18) |
| InChIK | CYVNWLKGQMAAOV-UHFFFAOYSA-N |
| TotalMolweight | 301.172 |
| Molweight | 301.172 |
| MonoisotopicMass | 300.043232 |
| CLogP | 1.4487 |
| CLogS | -3.262 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 221.65 |
| Relative PSA | 0.17167 |
| PolarSurfaceArea | 41.57 |
| Druglikeness | 1.3191 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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