[4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] morpholine-4-carboxylate
Formula:C20H17NO4ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] morpholine-4-carboxylate is a drug-like molecule.
| MolName | [4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]phenyl] morpholine-4-carboxylate |
| MolecularFormula | C20H17NO4ClF |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)c(cc1)ccc1OC(N1CCOCC1)=O |
| InChI | InChI=1S/C20H17ClFNO4/c21-17-2-1-3-18(22)16(17)8-9-19(24)14-4-6-15(7-5-14)27-20(25)23-10-12-26-13-11-23/h1-9H,10-13H2 |
| InChIK | FCIWVCJQWCXNLB-UHFFFAOYSA-N |
| TotalMolweight | 389.809 |
| Molweight | 389.809 |
| MonoisotopicMass | 389.083014 |
| CLogP | 3.9618 |
| CLogS | -5.074 |
| H Acceptors | 5 |
| TotalSurfaceArea | 288.63 |
| Relative PSA | 0.17195 |
| PolarSurfaceArea | 55.84 |
| Druglikeness | -3.1142 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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