5SM
概要
| 表記: | 5-[3-[bis(fluoranyl)methyl]-4-fluoranyl-phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine |
| 組成式: | C16 H13 F3 N4 |
| 電荷: | 0 |
| 化学式量: | 318.296 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.4 | 5-[3-[bis(fluoranyl)methyl]-4-fluoranyl-phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| 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 |
