I7X
Summary
| Name: | 6-imidazol-1-ylhexanoic acid |
| Formula: | C9 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 182.22 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-imidazol-1-ylhexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H14N2O2/c12-9(13)4-2-1-3-6-11-7-5-10-8-11/h5,7-8H,1-4,6H2,(H,12,13) |
| InChIKey | InChI | 1.03 | FTCIWLAWOWUQBL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCCn1ccnc1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCCCCn1ccnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cn(cn1)CCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cn(cn1)CCCCCC(=O)O |
