[4-fluoro-2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenyl] morpholine-4-carboxylate
Formula:C20H17NO4F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
[4-fluoro-2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenyl] morpholine-4-carboxylate is a drug-like molecule.
| MolName | [4-fluoro-2-[(E)-3-(2-fluorophenyl)prop-2-enoyl]phenyl] morpholine-4-carboxylate |
| MolecularFormula | C20H17NO4F2 |
| Smiles | O=C(/C=C/c(cccc1)c1F)c(cc(cc1)F)c1OC(N1CCOCC1)=O |
| InChI | InChI=1S/C20H17F2NO4/c21-15-6-8-19(27-20(25)23-9-11-26-12-10-23)16(13-15)18(24)7-5-14-3-1-2-4-17(14)22/h1-8,13H,9-12H2 |
| InChIK | NYMZWUIRKGVGHP-UHFFFAOYSA-N |
| TotalMolweight | 373.354 |
| Molweight | 373.354 |
| MonoisotopicMass | 373.112565 |
| CLogP | 3.4566 |
| CLogS | -4.652 |
| H Acceptors | 5 |
| TotalSurfaceArea | 279.56 |
| Relative PSA | 0.17753 |
| PolarSurfaceArea | 55.84 |
| Druglikeness | -3.1701 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| 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 | 2 |
| Amides | 1 |
| StereoCon |
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