(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate
Formula:C13H14NO3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate |
| MolecularFormula | C13H14NO3 |
| Smiles | [O-]C(/C=C/c(cc1)ccc1N1CCOCC1)=O |
| InChI | InChI=1S/C13H15NO3/c15-13(16)6-3-11-1-4-12(5-2-11)14-7-9-17-10-8-14/h1-6H,7-10H2,(H,15,16)/p-1 |
| InChIK | PTIOADUSEPAKPX-UHFFFAOYSA-M |
| TotalMolweight | 232.258 |
| Molweight | 232.258 |
| MonoisotopicMass | 232.097369 |
| CLogP | -0.9331 |
| CLogS | -2.102 |
| H Acceptors | 4 |
| TotalSurfaceArea | 186.88 |
| Relative PSA | 0.2187 |
| PolarSurfaceArea | 52.6 |
| Druglikeness | 1.6652 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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