Mol Weight - 96.0888
Smiles - O=Cc1ncc[nH]1
| Property Name | Property Value |
| Mol Name | 1H-imidazole-2-carbaldehyde |
| Molweight | 96.0888 |
| Monoisotopic Mass | 96.032363 |
| Clogp | -0.3574 |
| Clogs | -0.039 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 81.13 |
| Relative Psa | 0.46838 |
| Polar Surface Area | 45.75 |
| Druglikeness | -2.2084 |
| 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 | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Aromatic Nitrogens | 2 |
| Basic Nitrogens | 1 |
| Smiles | O=Cc1ncc[nH]1 |
| InChIKey | InChI=1S/C4H4N2O/c7-3-4-5-1-2-6-4/h1-3H,(H,5,6) |
| InChI | XYHKNCXZYYTLRG-UHFFFAOYSA-N |
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1 — 1H-imidazole-2-carbaldehyde | 2 — 1H-imidazole-2-carbaldehyde