Bioactive Compound Details
| BioID | bio199352 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL489865 |
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.25 |
| Molecular Weight (Monoisotopic) | 231.0895 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-(2-Nitrobenzylidene)Cyclohexanone |
| Smiles | O=C1CCCC/C1=C\c1ccccc1[N+](=O)[O-] |
| Inchi | InChI=1S/C13H13NO3/c15-13-8-4-2-6-11(13)9-10-5-1-3-7-12(10)14(16)17/h1,3,5,7,9H,2,4,6,8H2/b11-9+ |
| Inchi Key | MDRNBUVIUKNKMS-PKNBQFBNSA-N |
| Molecular Species | NEUTRAL |
| Targets | 8.0 |
| Bioactivities | 13.0 |
| Np Likeness Score | -0.96 |
| Records Key | ['4a', '4a'] |
| Records Name | ['(E)-2-(2-nitrobenzylidene)cyclohexanone', '2-(2-nitrobenzylidene)cyclohexanone'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
