Bioactive Compound Details
| BioID | bio197591 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1762645 |
| Molecular Formula | C7H13NaO2 |
| Molecular Weight | 152.17 |
| Molecular Weight (Monoisotopic) | 130.0994 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Sodium 2-Methylhexanoate |
| Smiles | CCCCC(C)C(=O)[O-].[Na+] |
| Inchi | InChI=1S/C7H14O2.Na/c1-3-4-5-6(2)7(8)9;/h6H,3-5H2,1-2H3,(H,8,9);/q;+1/p-1 |
| Inchi Key | FNEDHAVUXWEPMP-UHFFFAOYSA-M |
| Molecular Species | ACID |
| Targets | 3.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 1.08 |
| Records Key | ['6'] |
| Records Name | ['sodium 2-Methylhexanoate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
