3-[(E)-2-(3-nitrophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine
Formula:C21H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(E)-2-(3-nitrophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine is a drug-like molecule.
| MolName | 3-[(E)-2-(3-nitrophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine |
| MolecularFormula | C21H15N3O2 |
| Smiles | [O-][N+](c1cc(/C=C/c2nc(-c3ccccc3)c3n2cccc3)ccc1)=O |
| InChI | InChI=1S/C21H15N3O2/c25-24(26)18-10-6-7-16(15-18)12-13-20-22-21(17-8-2-1-3-9-17)19-11-4-5-14-23(19)20/h1-15H |
| InChIK | ONVPJPMLBTWVOI-UHFFFAOYSA-N |
| TotalMolweight | 341.369 |
| Molweight | 341.369 |
| MonoisotopicMass | 341.116427 |
| CLogP | 3.5125 |
| CLogS | -6.296 |
| H Acceptors | 5 |
| TotalSurfaceArea | 266.96 |
| Relative PSA | 0.18482 |
| PolarSurfaceArea | 63.12 |
| Druglikeness | -3.8228 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(E)-2-(3-nitrophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine | 2 - 3-[(E)-2-(3-nitrophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine
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