| BioID | bio199408 |
|---|
| Name | 2-ETHYLHEXANOIC ACID |
|---|
| ChEMBL ID | CHEMBL1162485 |
|---|
| Molecular Formula | C8H16O2 |
|---|
| Molecular Weight | 144.21 |
|---|
| Molecular Weight (Monoisotopic) | 144.115 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-Ethylhexanoate|2-Ethylhexanoic Acid |
|---|
| Smiles | CCCCC(CC)C(=O)O |
|---|
| Inchi | InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10) |
|---|
| Inchi Key | OBETXYAYXDNJHR-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 14.0 |
|---|
| Np Likeness Score | 0.56 |
|---|
| Records Key | ['2-ethyl-hexanoate', 'SID17389335', 'SID144208604', 'SID85272316', 'SID144210428', '8'] |
|---|
| Records Name | ['2-ethylhexanoate', 'SID17389335', 'SID144208604', 'SID85272316', 'SID144210428', '2-ethylhexanoic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
