6QJ
概要
| 表記: | (4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone |
| 組成式: | C19 H14 F N O3 |
| 電荷: | 0 |
| 化学式量: | 323.318 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 | 2.0.5 | (4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone |
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/C19H14FNO3/c1-11-9-12(6-8-17(11)22)15-3-2-4-16(21-15)19(24)13-5-7-14(20)18(23)10-13/h2-10,22-23H,1H3 |
| InChIKey | InChI | 1.03 | QDDLZOOWBSJEFI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(F)c(O)c3 |
| SMILES | CACTVS | 3.385 | Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(F)c(O)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(c(c3)O)F |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(c(c3)O)F |
