Chemical Name - Ethyl Butyrate
Mol Weight - 116.159
Smiles - CCCC(OCC)=O
Mol Weight - 116.159
Smiles - CCCC(OCC)=O
| Property Value | |
| Mol Name | Ethyl Butyrate |
| Molweight | 116.159 |
| Monoisotopic Mass | 116.08373 |
| Clogp | 1.4439 |
| Clogs | -1.427 |
| H Acceptors | 2 |
| Total Surface Area | 107.05 |
| Relative Psa | 0.21523 |
| Polar Surface Area | 26.3 |
| Druglikeness | -14.032 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.875 |
| Molecular Flexibility | 0.58684 |
| Molecular Complexity | 0.64864 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 4 |
| Sp3 Atoms | 6 |
| Smiles | CCCC(OCC)=O |
| InChIKey | InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3 |
| InChI | OBNCKNCVKJNDBV-UHFFFAOYSA-N |
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1 - Ethyl Butyrate
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1 - Ethyl Butyrate
2 - Ethyl Butyrate
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