(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)prop-2-enamide
Formula:C17H14NO3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)prop-2-enamide |
| MolecularFormula | C17H14NO3F |
| Smiles | O=C(/C=C/c1cccc(F)c1)Nc(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C17H14FNO3/c18-13-3-1-2-12(10-13)4-7-17(20)19-14-5-6-15-16(11-14)22-9-8-21-15/h1-7,10-11H,8-9H2,(H,19,20) |
| InChIK | JNEFDWZKYGIBLU-UHFFFAOYSA-N |
| TotalMolweight | 299.3 |
| Molweight | 299.3 |
| MonoisotopicMass | 299.095772 |
| CLogP | 3.2159 |
| CLogS | -3.994 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 229.1 |
| Relative PSA | 0.19424 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | -8.8617 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)prop-2-enamide | 2 - (E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)prop-2-enamide
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