Chemical Name - cyclobutanone
Mol Weight - 70.0906
Smiles - O=C1CCC1
Mol Weight - 70.0906
Smiles - O=C1CCC1
| Property Value | |
| Mol Name | cyclobutanone |
| Molweight | 70.0906 |
| Monoisotopic Mass | 70.041865 |
| Clogp | 0.6596 |
| Clogs | -1.262 |
| H Acceptors | 1 |
| Total Surface Area | 59.03 |
| Relative Psa | 0.2209 |
| Polar Surface Area | 17.07 |
| Druglikeness | -1.8791 |
| 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 | 1 |
| Electronegative Atoms | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 1 |
| Smiles | O=C1CCC1 |
| InChIKey | InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2 |
| InChI | SHQSVMDWKBRBGB-UHFFFAOYSA-N |
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1 - cyclobutanone
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