[4-chloro-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate
Formula:C18H16NO4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-chloro-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate is a drug-like molecule.
| MolName | [4-chloro-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] morpholine-4-carboxylate |
| MolecularFormula | C18H16NO4ClS |
| Smiles | O=C(/C=C/c1cccs1)c(cc(cc1)Cl)c1OC(N1CCOCC1)=O |
| InChI | InChI=1S/C18H16ClNO4S/c19-13-3-6-17(24-18(22)20-7-9-23-10-8-20)15(12-13)16(21)5-4-14-2-1-11-25-14/h1-6,11-12H,7-10H2 |
| InChIK | YWPHLHGEWSHSEU-UHFFFAOYSA-N |
| TotalMolweight | 377.847 |
| Molweight | 377.847 |
| MonoisotopicMass | 377.048856 |
| CLogP | 3.7276 |
| CLogS | -4.77 |
| H Acceptors | 5 |
| TotalSurfaceArea | 278.22 |
| Relative PSA | 0.25156 |
| PolarSurfaceArea | 84.08 |
| Druglikeness | -0.15476 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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