(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylprop-2-en-1-one
Formula:C16H13NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylprop-2-en-1-one |
| MolecularFormula | C16H13NO2 |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCC2)c1ccncc1 |
| InChI | InChI=1S/C16H13NO2/c18-15(13-5-8-17-9-6-13)3-1-12-2-4-16-14(11-12)7-10-19-16/h1-6,8-9,11H,7,10H2 |
| InChIK | CKPBYRSOKLHRFJ-UHFFFAOYSA-N |
| TotalMolweight | 251.284 |
| Molweight | 251.284 |
| MonoisotopicMass | 251.094629 |
| CLogP | 2.5287 |
| CLogS | -3.412 |
| H Acceptors | 3 |
| TotalSurfaceArea | 200.05 |
| Relative PSA | 0.17001 |
| PolarSurfaceArea | 39.19 |
| Druglikeness | -0.20552 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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