| BioID | bio198376 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL489901 |
|---|
| 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-(3-Nitrobenzylidene)Cyclohexanone |
|---|
| Smiles | O=C1CCCC/C1=C\c1cccc([N+](=O)[O-])c1 |
|---|
| Inchi | InChI=1S/C13H13NO3/c15-13-7-2-1-5-11(13)8-10-4-3-6-12(9-10)14(16)17/h3-4,6,8-9H,1-2,5,7H2/b11-8+ |
|---|
| Inchi Key | DDFDJWLOLZEYJK-DHZHZOJOSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 13.0 |
|---|
| Np Likeness Score | -1.01 |
|---|
| Records Key | ['4b', '4b'] |
|---|
| Records Name | ['2-(3-nitrobenzylidene)cyclohexanone', '(E)-2-(3-nitrobenzylidene)cyclohexanone'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
