Chemical Name - Methyl Ethyl Ketone
Mol Weight - 72.1065
Smiles - CCC(C)=O
Mol Weight - 72.1065
Smiles - CCC(C)=O
| Property Value | |
| Mol Name | Methyl Ethyl Ketone |
| Molweight | 72.1065 |
| Monoisotopic Mass | 72.057515 |
| Clogp | 0.833 |
| Clogs | -1.176 |
| H Acceptors | 1 |
| Total Surface Area | 69.53 |
| Relative Psa | 0.18754 |
| Polar Surface Area | 17.07 |
| Druglikeness | -1.6461 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.8 |
| Molecular Flexibility | 0.6217 |
| Molecular Complexity | 0.54931 |
| Fragments | 1 |
| Non H Atoms | 5 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 1 |
| Sp3 Atoms | 3 |
| Smiles | CCC(C)=O |
| InChIKey | InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3 |
| InChI | ZWEHNKRNPOVVGH-UHFFFAOYSA-N |
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1 - Methyl Ethyl Ketone
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1 - Methyl Ethyl Ketone
2 - Methyl Ethyl Ketone
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