Mol Weight - 115.131
Smiles - CC(CC(NC)=O)=O
| Property Name | Property Value |
| Mol Name | Mono-Methyl Aceto Acetamide |
| Molweight | 115.131 |
| Monoisotopic Mass | 115.063329 |
| Clogp | -0.4896 |
| Clogs | -0.643 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 98.74 |
| Relative Psa | 0.38019 |
| Polar Surface Area | 46.17 |
| Druglikeness | -4.6805 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.75 |
| Molecular Flexibility | 0.60897 |
| Molecular Complexity | 0.69315 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 2 |
| Sp3 Atoms | 3 |
| Amides | 1 |
| Smiles | CC(CC(NC)=O)=O |
| InChIKey | InChI=1S/C5H9NO2/c1-4(7)3-5(8)6-2/h3H2,1-2H3,(H,6,8) |
| InChI | ATWLCPHWYPSRBQ-UHFFFAOYSA-N |
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1 — Mono-Methyl Aceto Acetamide | 2 — Mono-Methyl Aceto Acetamide