Mol Weight - 204.185
Smiles - O=C(n1cccc1)OC(n1cccc1)=O
| Property Name | Property Value |
| Mol Name | 1H-pyrrole-1-carboxylicanhydride |
| Molweight | 204.185 |
| Monoisotopic Mass | 204.053493 |
| Clogp | 1.5875 |
| Clogs | -1.843 |
| H Acceptors | 5 |
| Total Surface Area | 156.92 |
| Relative Psa | 0.31749 |
| Polar Surface Area | 53.23 |
| Druglikeness | -8.8441 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.6 |
| Molecular Flexibility | 0.32515 |
| Molecular Complexity | 0.53051 |
| Fragments | 1 |
| Non H Atoms | 15 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bonds | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 9 |
| Aromatic Nitrogens | 2 |
| Smiles | O=C(n1cccc1)OC(n1cccc1)=O |
| InChIKey | InChI=1S/C10H8N2O3/c13-9(11-5-1-2-6-11)15-10(14)12-7-3-4-8-12/h1-8H |
| InChI | QWZPWKSAEPEWOP-UHFFFAOYSA-N |
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1 — 1H-pyrrole-1-carboxylicanhydride | 2 — 1H-pyrrole-1-carboxylicanhydride