Chemical Name - N-Methyl Pyrrole
Mol Weight - 81.1176
Smiles - Cn1cccc1
Mol Weight - 81.1176
Smiles - Cn1cccc1
| Property Value | |
| Mol Name | N-Methyl Pyrrole |
| Molweight | 81.1176 |
| Monoisotopic Mass | 81.057849 |
| Clogp | 0.5149 |
| Clogs | -0.303 |
| H Acceptors | 1 |
| Total Surface Area | 74.72 |
| Relative Psa | 0.091943 |
| Polar Surface Area | 4.93 |
| Druglikeness | 0.95537 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Complexity | 0.59725 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 2 |
| Aromatic Nitrogens | 1 |
| Smiles | Cn1cccc1 |
| InChIKey | InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3 |
| InChI | OXHNLMTVIGZXSG-UHFFFAOYSA-N |
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1 - N-Methyl Pyrrole
2 - N-Methyl Pyrrole
1 - N-Methyl Pyrrole
2 - N-Methyl Pyrrole
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