| BioID | bio197404 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL484799 |
|---|
| 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(3-Nitrophenyl)Methyl)Cyclohexanone |
|---|
| Smiles | O=C1CCCCC1C(O)c1cccc([N+](=O)[O-])c1 |
|---|
| Inchi | InChI=1S/C13H15NO4/c15-12-7-2-1-6-11(12)13(16)9-4-3-5-10(8-9)14(17)18/h3-5,8,11,13,16H,1-2,6-7H2 |
|---|
| Inchi Key | OFFGBOIAXPIJKZ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 9.0 |
|---|
| Bioactivities | 10.0 |
|---|
| Np Likeness Score | -0.37 |
|---|
| Records Key | ['19'] |
|---|
| Records Name | ['2-(hydroxy(3-nitrophenyl)methyl)cyclohexanone'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
