4-[(E)-2-pyridin-2-ylethenyl]cinnoline
Formula:C15H11N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-pyridin-2-ylethenyl]cinnoline is a drug-like molecule.
| MolName | 4-[(E)-2-pyridin-2-ylethenyl]cinnoline |
| MolecularFormula | C15H11N3 |
| Smiles | C(c1cnnc2ccccc12)=C/c1ncccc1 |
| InChI | InChI=1S/C15H11N3/c1-2-7-15-14(6-1)12(11-17-18-15)8-9-13-5-3-4-10-16-13/h1-11H |
| InChIK | UPVPIBSVXGMYAC-UHFFFAOYSA-N |
| TotalMolweight | 233.273 |
| Molweight | 233.273 |
| MonoisotopicMass | 233.095297 |
| CLogP | 2.4068 |
| CLogS | -3.236 |
| H Acceptors | 3 |
| TotalSurfaceArea | 190.4 |
| Relative PSA | 0.17285 |
| PolarSurfaceArea | 38.67 |
| Druglikeness | -1.4269 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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