(E)-1,3-dipyridin-3-ylprop-2-en-1-one
Formula:C13H10N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,3-dipyridin-3-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1,3-dipyridin-3-ylprop-2-en-1-one |
| MolecularFormula | C13H10N2O |
| Smiles | O=C(/C=C/c1cnccc1)c1cnccc1 |
| InChI | InChI=1S/C13H10N2O/c16-13(12-4-2-8-15-10-12)6-5-11-3-1-7-14-9-11/h1-10H |
| InChIK | KXLMRYRHYQJMHE-UHFFFAOYSA-N |
| TotalMolweight | 210.235 |
| Molweight | 210.235 |
| MonoisotopicMass | 210.079313 |
| CLogP | 1.302 |
| CLogS | -2.25 |
| H Acceptors | 3 |
| TotalSurfaceArea | 174.79 |
| Relative PSA | 0.20013 |
| PolarSurfaceArea | 42.85 |
| Druglikeness | 0.28859 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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