FJE
概要
| 表記: | [3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)methanone |
| 組成式: | C14 H8 Cl F2 N3 O |
| 電荷: | 0 |
| 化学式量: | 307.683 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 | 2.0.6 | [3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-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/C14H8ClF2N3O/c15-6-3-7-8(5-20-14(7)19-4-6)13(21)11-9(16)1-2-10(18)12(11)17/h1-5H,18H2,(H,19,20) |
| InChIKey | InChI | 1.03 | MVKWDNQCWQPTST-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(Cl)cc23 |
| SMILES | CACTVS | 3.385 | Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(Cl)cc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1N)F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1N)F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F |
