(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
Formula:C13H14NO5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate |
| MolecularFormula | C13H14NO5S |
| Smiles | [O-]C(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O |
| InChI | InChI=1S/C13H15NO5S/c15-13(16)6-3-11-1-4-12(5-2-11)20(17,18)14-7-9-19-10-8-14/h1-6H,7-10H2,(H,15,16)/p-1 |
| InChIK | NOAXVHQCZVRKJO-UHFFFAOYSA-M |
| TotalMolweight | 296.322 |
| Molweight | 296.322 |
| MonoisotopicMass | 296.059269 |
| CLogP | -1.5593 |
| CLogS | -1.205 |
| H Acceptors | 6 |
| TotalSurfaceArea | 215.46 |
| Relative PSA | 0.32233 |
| PolarSurfaceArea | 95.12 |
| Druglikeness | 2.4218 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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