1VK
Summary
| Name: | (4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone |
| Formula: | C9 H7 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 189.171 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4-amino-1,2,5-oxadiazol-3-yl)(phenyl)methanone |
| OpenEye OEToolkits | 1.9.2 | (4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1ccccc1)c2nonc2N |
| InChI | InChI | 1.03 | InChI=1S/C9H7N3O2/c10-9-7(11-14-12-9)8(13)6-4-2-1-3-5-6/h1-5H,(H2,10,12) |
| InChIKey | InChI | 1.03 | FSUWRFXTSWSYPV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nonc1C(=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | Nc1nonc1C(=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C(=O)c2c(non2)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C(=O)c2c(non2)N |
