Chemical Name - Pyrrole-3-carboxaldehyde
Mol Weight - 95.1007
Smiles - O=Cc1c[nH]cc1
Mol Weight - 95.1007
Smiles - O=Cc1c[nH]cc1
| Property Value | |
| Mol Name | Pyrrole-3-carboxaldehyde |
| Molweight | 95.1007 |
| Monoisotopic Mass | 95.037114 |
| Clogp | 0.3154 |
| Clogs | -0.964 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 82.37 |
| Relative Psa | 0.32815 |
| Polar Surface Area | 32.86 |
| Druglikeness | -2.5375 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.71429 |
| Molecular Flexibility | 0.42027 |
| 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=Cc1c[nH]cc1 |
| InChIKey | InChI=1S/C5H5NO/c7-4-5-1-2-6-3-5/h1-4,6H |
| InChI | CHNYVNOFAWYUEG-UHFFFAOYSA-N |
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