Chemical Name - Furfuraldehyde
Mol Weight - 96.0848
Smiles - O=Cc1ccco1
Mol Weight - 96.0848
Smiles - O=Cc1ccco1
| Property Value | |
| Mol Name | Furfuraldehyde |
| Molweight | 96.0848 |
| Monoisotopic Mass | 96.02113 |
| Clogp | 0.7816 |
| Clogs | -1.622 |
| H Acceptors | 2 |
| Total Surface Area | 82.49 |
| Relative Psa | 0.32913 |
| Polar Surface Area | 30.21 |
| Druglikeness | -3.4104 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.71429 |
| Molecular Flexibility | 0.42027 |
| Molecular Complexity | 0.76753 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Smiles | O=Cc1ccco1 |
| InChIKey | InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H |
| InChI | HYBBIBNJHNGZAN-UHFFFAOYSA-N |
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