3-[(E)-2-phenylethenyl]imidazo[1,5-a]pyridine
Formula:C15H12N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-phenylethenyl]imidazo[1,5-a]pyridine is a drug-like molecule.
| MolName | 3-[(E)-2-phenylethenyl]imidazo[1,5-a]pyridine |
| MolecularFormula | C15H12N2 |
| Smiles | C(c1ncc2n1cccc2)=C/c1ccccc1 |
| InChI | InChI=1S/C15H12N2/c1-2-6-13(7-3-1)9-10-15-16-12-14-8-4-5-11-17(14)15/h1-12H |
| InChIK | NBRHMZAOZBNEIA-UHFFFAOYSA-N |
| TotalMolweight | 220.274 |
| Molweight | 220.274 |
| MonoisotopicMass | 220.100048 |
| CLogP | 2.8543 |
| CLogS | -4.058 |
| H Acceptors | 2 |
| TotalSurfaceArea | 183.53 |
| Relative PSA | 0.10309 |
| PolarSurfaceArea | 17.3 |
| Druglikeness | 2.3077 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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