3AK
1-benzyl-1H-indole-2,3-dione
Find entries where: 3AK
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 1-benzyl-1H-indole-2,3-dione |
| Identifiers | 1-(phenylmethyl)indole-2,3-dione |
| Formula | C15 H11 N O2 |
| Molecular Weight | 237.253 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc(cc1)CN2c3ccccc3C(=O)C2=O |
| InChI | InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2 |
| InChIKey | SIISFRLGYDVIRG-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 29 |
| Chiral Atom Count | 0 |
| Bond Count | 31 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL115581 |
| PubChem | 264734 |
| ChEMBL | CHEMBL115581 |
| CCDC/CSD | MEHROH, MEHROH02, MEHROH01 |
| COD | 2208526, 2233780 |
