Mol Weight - 123.111
Smiles - O=Cc1ccc(C=O)[nH]1
| Property Name | Property Value |
| Mol Name | 1H-pyrrole-2,5-dicarbaldehyde |
| Molweight | 123.111 |
| Monoisotopic Mass | 123.032029 |
| Clogp | 0.3567 |
| Clogs | -1.336 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 101.91 |
| Relative Psa | 0.39319 |
| Polar Surface Area | 49.93 |
| Druglikeness | -1.6209 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.77778 |
| Molecular Flexibility | 0.14787 |
| Molecular Complexity | 0.74893 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Symmetric Atoms | 4 |
| Aromatic Nitrogens | 1 |
| Smiles | O=Cc1ccc(C=O)[nH]1 |
| InChIKey | InChI=1S/C6H5NO2/c8-3-5-1-2-6(4-9)7-5/h1-4,7H |
| InChI | MKVBQBLIGAFRIY-UHFFFAOYSA-N |
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1 — 1H-pyrrole-2,5-dicarbaldehyde | 2 — 1H-pyrrole-2,5-dicarbaldehyde