Chemical Name - 3-oxetanone
Mol Weight - 72.0628
Smiles - O=C1COC1
Mol Weight - 72.0628
Smiles - O=C1COC1
| Property Value | |
| Mol Name | 3-oxetanone |
| Molweight | 72.0628 |
| Monoisotopic Mass | 72.02113 |
| Clogp | -0.5044 |
| Clogs | -0.373 |
| H Acceptors | 2 |
| Total Surface Area | 55.27 |
| Relative Psa | 0.41686 |
| Polar Surface Area | 26.3 |
| Druglikeness | -0.25128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.8 |
| Molecular Complexity | 0.80472 |
| Fragments | 1 |
| Non H Atoms | 5 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 1 |
| Smiles | O=C1COC1 |
| InChIKey | InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2 |
| InChI | ROADCYAOHVSOLQ-UHFFFAOYSA-N |
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