5SM
Summary
| Name: | 5-[3-[bis(fluoranyl)methyl]-4-fluoranyl-phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine |
| Formula: | C16 H13 F3 N4 |
| Formal charge: | 0 |
| Formula weight: | 318.296 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 5-[3-[bis(fluoranyl)methyl]-4-fluoranyl-phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H13F3N4/c1-10-20-4-5-23(10)9-13-6-12(8-21-22-13)11-2-3-15(17)14(7-11)16(18)19/h2-8,16H,9H2,1H3 |
| InChIKey | InChI | 1.03 | BOVUHBFXPNLTKF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nccn1Cc2cc(cnn2)c3ccc(F)c(c3)C(F)F |
| SMILES | CACTVS | 3.385 | Cc1nccn1Cc2cc(cnn2)c3ccc(F)c(c3)C(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1nccn1Cc2cc(cnn2)c3ccc(c(c3)C(F)F)F |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1nccn1Cc2cc(cnn2)c3ccc(c(c3)C(F)F)F |
