| BioID | bio198817 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL307481 |
|---|
| Molecular Formula | C8H7NO3 |
|---|
| Molecular Weight | 165.15 |
|---|
| Molecular Weight (Monoisotopic) | 165.0426 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 4-(2-Nitrovinyl)Phenol |
|---|
| Smiles | O=[N+]([O-])/C=C/c1ccc(O)cc1 |
|---|
| Inchi | InChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5+ |
|---|
| Inchi Key | CTJKRKMPTRJAIT-AATRIKPKSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 34.0 |
|---|
| Bioactivities | 186.0 |
|---|
| Np Likeness Score | 0.53 |
|---|
| Records Key | ['1', '151', '1n', '39', '4b', 'HS8', 'SS47'] |
|---|
| Records Name | ['4-(2-Nitro-vinyl)-phenol', '4-(2-nitrovinyl)phenol', '(E)-4-(2-nitrovinyl)phenol', '(E)-4-(2-nitrovinyl)phenol', '(E)-4-(2-nitrovinyl)phenol', '(E)-4-(2-nitrovinyl)phenol', '4-((E)-2-nitrovinyl)phenol'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
