(E)-N-(cyclopropylmethyl)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
Formula:C18H22NO2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(cyclopropylmethyl)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(cyclopropylmethyl)-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C18H22NO2F |
| Smiles | O=C(/C=C/c(cc1)ccc1F)N(CC1CC1)CC1OCCC1 |
| InChI | InChI=1S/C18H22FNO2/c19-16-8-5-14(6-9-16)7-10-18(21)20(12-15-3-4-15)13-17-2-1-11-22-17/h5-10,15,17H,1-4,11-13H2/t17-/m1/s1 |
| InChIK | ITWQUWRJTBXEHX-QGZVFWFLSA-N |
| TotalMolweight | 303.376 |
| Molweight | 303.376 |
| MonoisotopicMass | 303.163457 |
| CLogP | 2.8191 |
| CLogS | -3.444 |
| H Acceptors | 3 |
| TotalSurfaceArea | 238.48 |
| Relative PSA | 0.1115 |
| PolarSurfaceArea | 29.54 |
| Druglikeness | 0.24503 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | racemate |
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