Chemical Name - 1H-Pyrrole-2-carboxaldehydeoxime
Mol Weight - 110.116
Smiles - ON=Cc1ccc[nH]1
Mol Weight - 110.116
Smiles - ON=Cc1ccc[nH]1
| Property Value | |
| Mol Name | 1H-Pyrrole-2-carboxaldehydeoxime |
| Molweight | 110.116 |
| Monoisotopic Mass | 110.048013 |
| Clogp | 0.9908 |
| Clogs | -1.363 |
| H Acceptors | 3 |
| H Donors | 2 |
| Total Surface Area | 93.94 |
| Relative Psa | 0.4109 |
| Polar Surface Area | 48.38 |
| Druglikeness | 0.995 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.75 |
| Molecular Flexibility | 0.02539 |
| Molecular Complexity | 0.65976 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 1 |
| Aromatic Nitrogens | 1 |
| Smiles | ON=Cc1ccc[nH]1 |
| InChIKey | InChI=1S/C5H6N2O/c8-7-4-5-2-1-3-6-5/h1-4,6,8H |
| InChI | BBRQKFAQWZJCJL-UHFFFAOYSA-N |
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1 - 1H-Pyrrole-2-carboxaldehydeoxime
2 - 1H-Pyrrole-2-carboxaldehydeoxime
1 - 1H-Pyrrole-2-carboxaldehydeoxime
2 - 1H-Pyrrole-2-carboxaldehydeoxime
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