Chemical Name - Quinoline
Mol Weight - 129.162
Smiles - c1ccc2ncccc2c1
Mol Weight - 129.162
Smiles - c1ccc2ncccc2c1
| Property Value | |
| Mol Name | Quinoline |
| Molweight | 129.162 |
| Monoisotopic Mass | 129.057849 |
| Clogp | 1.9756 |
| Clogs | -2.322 |
| H Acceptors | 1 |
| Total Surface Area | 106.62 |
| Relative Psa | 0.10289 |
| Polar Surface Area | 12.89 |
| Druglikeness | -1.8447 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.6 |
| Molecular Complexity | 0.64378 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Aromatic Nitrogens | 1 |
| Smiles | c1ccc2ncccc2c1 |
| InChIKey | InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H |
| InChI | SMWDFEZZVXVKRB-UHFFFAOYSA-N |
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1 - Quinoline
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