Bioactive Compound Details
| BioID | bio199152 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL484800 |
| Molecular Formula | C13H15NO4 |
| Molecular Weight | 249.27 |
| Molecular Weight (Monoisotopic) | 249.1001 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-(Hydroxy(2-Nitrophenyl)Methyl)Cyclohexanone |
| Smiles | O=C1CCCCC1C(O)c1ccccc1[N+](=O)[O-] |
| Inchi | InChI=1S/C13H15NO4/c15-12-8-4-2-6-10(12)13(16)9-5-1-3-7-11(9)14(17)18/h1,3,5,7,10,13,16H,2,4,6,8H2 |
| Inchi Key | CQUCPYRFCCLXKV-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 9.0 |
| Bioactivities | 10.0 |
| Np Likeness Score | -0.39 |
| Records Key | ['20'] |
| Records Name | ['2-(hydroxy(2-nitrophenyl)methyl)cyclohexanone'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
