(E)-3-(furan-2-yl)-1-pyridin-3-ylprop-2-en-1-one
Formula:C12H9NO2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-2-yl)-1-pyridin-3-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-1-pyridin-3-ylprop-2-en-1-one |
| MolecularFormula | C12H9NO2 |
| Smiles | O=C(/C=C/c1ccco1)c1cnccc1 |
| InChI | InChI=1S/C12H9NO2/c14-12(10-3-1-7-13-9-10)6-5-11-4-2-8-15-11/h1-9H |
| InChIK | HTGZMQHTNOCVLZ-UHFFFAOYSA-N |
| TotalMolweight | 199.208 |
| Molweight | 199.208 |
| MonoisotopicMass | 199.063329 |
| CLogP | 1.4916 |
| CLogS | -2.727 |
| H Acceptors | 3 |
| TotalSurfaceArea | 165.72 |
| Relative PSA | 0.23003 |
| PolarSurfaceArea | 43.1 |
| Druglikeness | 0.4525 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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