2-phenoxyethyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
Formula:C21H23NO6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-phenoxyethyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate is a drug-like molecule.
| MolName | 2-phenoxyethyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate |
| MolecularFormula | C21H23NO6S |
| Smiles | O=C(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)OCCOc1ccccc1 |
| InChI | InChI=1S/C21H23NO6S/c23-21(28-17-16-27-19-4-2-1-3-5-19)11-8-18-6-9-20(10-7-18)29(24,25)22-12-14-26-15-13-22/h1-11H,12-17H2 |
| InChIK | KGPXWTIKOCXVPD-UHFFFAOYSA-N |
| TotalMolweight | 417.481 |
| Molweight | 417.481 |
| MonoisotopicMass | 417.124609 |
| CLogP | 2.3696 |
| CLogS | -2.583 |
| H Acceptors | 7 |
| TotalSurfaceArea | 315.21 |
| Relative PSA | 0.23848 |
| PolarSurfaceArea | 90.52 |
| Druglikeness | -6.2942 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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