Chemical Name - 2-Formylpyrrole
Mol Weight - 95.1007
Smiles - O=Cc1ccc[nH]1
Mol Weight - 95.1007
Smiles - O=Cc1ccc[nH]1
| Property Value | |
| Mol Name | 2-Formylpyrrole |
| Molweight | 95.1007 |
| Monoisotopic Mass | 95.037114 |
| Clogp | 0.3694 |
| Clogs | -0.988 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 82.37 |
| Relative Psa | 0.32815 |
| Polar Surface Area | 32.86 |
| Druglikeness | -1.6209 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.71429 |
| Molecular Flexibility | 0.12152 |
| Molecular Complexity | 0.76753 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Aromatic Nitrogens | 1 |
| Smiles | O=Cc1ccc[nH]1 |
| InChIKey | InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H |
| InChI | ZSKGQVFRTSEPJT-UHFFFAOYSA-N |
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1 - 2-Formylpyrrole
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1 - 2-Formylpyrrole
2 - 2-Formylpyrrole
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