Chemical Name - Furan
Mol Weight - 68.0748
Smiles - c1cocc1
Mol Weight - 68.0748
Smiles - c1cocc1
| Property Value | |
| Mol Name | Furan |
| Molweight | 68.0748 |
| Monoisotopic Mass | 68.026215 |
| Clogp | 0.7943 |
| Clogs | -1.274 |
| H Acceptors | 1 |
| Total Surface Area | 62.95 |
| Relative Psa | 0.22415 |
| Polar Surface Area | 13.14 |
| Druglikeness | -2.0899 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.6 |
| Molecular Complexity | 0.80472 |
| Fragments | 1 |
| Non H Atoms | 5 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Symmetric Atoms | 2 |
| Smiles | c1cocc1 |
| InChIKey | InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H |
| InChI | YLQBMQCUIZJEEH-UHFFFAOYSA-N |
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1 - Furan
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