Chemical Name - Furaneol
Mol Weight - 84.0738
Smiles - Oc1ccco1
Mol Weight - 84.0738
Smiles - Oc1ccco1
| Property Value | |
| Mol Name | Furaneol |
| Molweight | 84.0738 |
| Monoisotopic Mass | 84.02113 |
| Clogp | 0.8 |
| Clogs | -1.503 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 69.3 |
| Relative Psa | 0.39264 |
| Polar Surface Area | 33.37 |
| Druglikeness | -2.0952 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Complexity | 0.64864 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 1 |
| Smiles | Oc1ccco1 |
| InChIKey | InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-3,5H |
| InChI | ICGWWCLWBPLPDF-UHFFFAOYSA-N |
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1 - Furaneol
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