(E)-1-(1H-indol-2-yl)-3-pyridin-2-ylprop-2-en-1-one
Formula:C16H12N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(1H-indol-2-yl)-3-pyridin-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(1H-indol-2-yl)-3-pyridin-2-ylprop-2-en-1-one |
| MolecularFormula | C16H12N2O |
| Smiles | O=C(/C=C/c1ncccc1)c1cc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C16H12N2O/c19-16(9-8-13-6-3-4-10-17-13)15-11-12-5-1-2-7-14(12)18-15/h1-11,18H |
| InChIK | GQJFMMOARAQKCX-UHFFFAOYSA-N |
| TotalMolweight | 248.284 |
| Molweight | 248.284 |
| MonoisotopicMass | 248.094963 |
| CLogP | 2.4503 |
| CLogS | -3.618 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 200.2 |
| Relative PSA | 0.18981 |
| PolarSurfaceArea | 45.75 |
| Druglikeness | 2.1093 |
| 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 | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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