(E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
Formula:C14H16NO2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C14H16NO2F |
| Smiles | O=C(/C=C/c(cc1)ccc1F)NCC1OCCC1 |
| InChI | InChI=1S/C14H16FNO2/c15-12-6-3-11(4-7-12)5-8-14(17)16-10-13-2-1-9-18-13/h3-8,13H,1-2,9-10H2,(H,16,17)/t13-/m1/s1 |
| InChIK | RXJKBEUFCXFTBD-CYBMUJFWSA-N |
| TotalMolweight | 249.284 |
| Molweight | 249.284 |
| MonoisotopicMass | 249.116507 |
| CLogP | 1.8282 |
| CLogS | -2.99 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 199.36 |
| Relative PSA | 0.17305 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -2.1501 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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