| MolName | (E)-3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide |
| MolecularFormula | C9H8N4O |
| Smiles | NC(/C=C/c1c[nH]c2nccnc12)=O |
| InChI | InChI=1S/C9H8N4O/c10-7(14)2-1-6-5-13-9-8(6)11-3-4-12-9/h1-5H,(H2,10,14)(H,12,13) |
| InChIK | YSOUJGPFYLDVIC-UHFFFAOYSA-N |
| TotalMolweight | 188.19 |
| Molweight | 188.19 |
| MonoisotopicMass | 188.069811 |
| CLogP | -0.4809 |
| CLogS | -1.75 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 147.72 |
| Relative PSA | 0.43488 |
| PolarSurfaceArea | 84.66 |
| Druglikeness | -0.24046 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (E)-3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide | 2 - (E)-3-(5H-pyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide