Chemical Name - Pyrrole
Mol Weight - 67.0907
Smiles - c1c[nH]cc1
Mol Weight - 67.0907
Smiles - c1c[nH]cc1
| Property Value | |
| Mol Name | Pyrrole |
| Molweight | 67.0907 |
| Monoisotopic Mass | 67.042199 |
| Clogp | 0.3821 |
| Clogs | -0.64 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 62.83 |
| Relative Psa | 0.22266 |
| Polar Surface Area | 15.79 |
| Druglikeness | -0.57164 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.6 |
| Molecular Complexity | 0.80472 |
| Fragments | 1 |
| Non H Atoms | 5 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Symmetric Atoms | 2 |
| Aromatic Nitrogens | 1 |
| Smiles | c1c[nH]cc1 |
| InChIKey | InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H |
| InChI | KAESVJOAVNADME-UHFFFAOYSA-N |
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1 - Pyrrole
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