Chemical Name - 1H-Pyrrole-2,5-dione
Mol Weight - 97.0728
Smiles - O=C(C=C1)NC1=O
Mol Weight - 97.0728
Smiles - O=C(C=C1)NC1=O
| Property Value | |
| Mol Name | 1H-Pyrrole-2,5-dione |
| Molweight | 97.0728 |
| Monoisotopic Mass | 97.016379 |
| Clogp | -1.0053 |
| Clogs | -0.591 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 73.46 |
| Relative Psa | 0.51103 |
| Polar Surface Area | 46.17 |
| Druglikeness | 0.41134 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.71429 |
| Molecular Complexity | 0.7993 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Symmetric Atoms | 3 |
| Amides | 1 |
| Smiles | O=C(C=C1)NC1=O |
| InChIKey | InChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7) |
| InChI | PEEHTFAAVSWFBL-UHFFFAOYSA-N |
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1 - 1H-Pyrrole-2,5-dione
2 - 1H-Pyrrole-2,5-dione
1 - 1H-Pyrrole-2,5-dione
2 - 1H-Pyrrole-2,5-dione
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