Chemical Name - Acetaldehyde
Mol Weight - 44.0528
Smiles - CC=O
Mol Weight - 44.0528
Smiles - CC=O
| Property Value | |
| Mol Name | Acetaldehyde |
| Molweight | 44.0528 |
| Monoisotopic Mass | 44.026215 |
| Clogp | -0.1618 |
| Clogs | -0.692 |
| H Acceptors | 1 |
| Total Surface Area | 45.3 |
| Relative Psa | 0.28786 |
| Polar Surface Area | 17.07 |
| Druglikeness | -2.27 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 1 |
| Fragments | 1 |
| Non H Atoms | 3 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Sp3 Atoms | 1 |
| Smiles | CC=O |
| InChIKey | InChI=1S/C2H4O/c1-2-3/h2H,1H3 |
| InChI | IKHGUXGNUITLKF-UHFFFAOYSA-N |
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