2-[(E)-2-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)ethenyl]quinoline
Formula:C26H20N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)ethenyl]quinoline is a drug-like molecule.
| MolName | 2-[(E)-2-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)ethenyl]quinoline |
| MolecularFormula | C26H20N4 |
| Smiles | C(c1ccccc1)n(cc1/C=C/c2nc3ccccc3cc2)nc1-c1cnccc1 |
| InChI | InChI=1S/C26H20N4/c1-2-7-20(8-3-1)18-30-19-23(26(29-30)22-10-6-16-27-17-22)13-15-24-14-12-21-9-4-5-11-25(21)28-24/h1-17,19H,18H2 |
| InChIK | LQBNYMFPYOMBLR-UHFFFAOYSA-N |
| TotalMolweight | 388.473 |
| Molweight | 388.473 |
| MonoisotopicMass | 388.168796 |
| CLogP | 4.4057 |
| CLogS | -5.022 |
| H Acceptors | 4 |
| TotalSurfaceArea | 312.88 |
| Relative PSA | 0.12714 |
| PolarSurfaceArea | 43.6 |
| Druglikeness | 3.3905 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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