[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
Formula:C21H20NO6ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate is a drug-like molecule.
| MolName | [2-(4-chlorophenyl)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate |
| MolecularFormula | C21H20NO6ClS |
| Smiles | O=C(COC(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)=O)c(cc1)ccc1Cl |
| InChI | InChI=1S/C21H20ClNO6S/c22-18-6-4-17(5-7-18)20(24)15-29-21(25)10-3-16-1-8-19(9-2-16)30(26,27)23-11-13-28-14-12-23/h1-10H,11-15H2 |
| InChIK | QKQKXGPPZUYIAQ-UHFFFAOYSA-N |
| TotalMolweight | 449.91 |
| Molweight | 449.91 |
| MonoisotopicMass | 449.069986 |
| CLogP | 2.5105 |
| CLogS | -3.685 |
| H Acceptors | 7 |
| TotalSurfaceArea | 324.62 |
| Relative PSA | 0.24093 |
| PolarSurfaceArea | 98.36 |
| Druglikeness | 3.651 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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