| BioID | bio197405 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL452176 |
|---|
| 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(4-Nitrophenyl)Methyl)Cyclohexanone |
|---|
| Smiles | O=C1CCCCC1C(O)c1ccc([N+](=O)[O-])cc1 |
|---|
| Inchi | InChI=1S/C13H15NO4/c15-12-4-2-1-3-11(12)13(16)9-5-7-10(8-6-9)14(17)18/h5-8,11,13,16H,1-4H2 |
|---|
| Inchi Key | LWDGESCTOIIBJJ-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 9.0 |
|---|
| Bioactivities | 10.0 |
|---|
| Np Likeness Score | -0.25 |
|---|
| Records Key | ['18'] |
|---|
| Records Name | ['2-(hydroxy(4-nitrophenyl)methyl)cyclohexanone'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
