IAF
概要
| 表記: | 2-(5-bromanyl-7-fluoranyl-2-methyl-1H-indol-3-yl)ethanamine |
| 組成式: | C11 H12 Br F N2 |
| 電荷: | 0 |
| 化学式量: | 271.129 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 | 2.0.7 | 2-(5-bromanyl-7-fluoranyl-2-methyl-1~{H}-indol-3-yl)ethanamine |
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 | 1.06 | InChI=1S/C11H12BrFN2/c1-6-8(2-3-14)9-4-7(12)5-10(13)11(9)15-6/h4-5,15H,2-3,14H2,1H3 |
| InChIKey | InChI | 1.06 | ZXTLEYKPUYPREL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]c2c(F)cc(Br)cc2c1CCN |
| SMILES | CACTVS | 3.385 | Cc1[nH]c2c(F)cc(Br)cc2c1CCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c2cc(cc(c2[nH]1)F)Br)CCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c2cc(cc(c2[nH]1)F)Br)CCN |
