Q8I
概要
| 表記: | 1-(5-fluoro-1H-indol-3-yl)-N-methylmethanamine |
| 組成式: | C10 H11 F N2 |
| 電荷: | 0 |
| 化学式量: | 178.206 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 1-(5-fluoro-1H-indol-3-yl)-N-methylmethanamine |
| OpenEye OEToolkits | 2.0.7 | 1-(5-fluoranyl-1~{H}-indol-3-yl)-~{N}-methyl-methanamine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Fc1cc2c(cc1)[NH]cc2CNC |
| InChI | InChI | 1.06 | InChI=1S/C10H11FN2/c1-12-5-7-6-13-10-3-2-8(11)4-9(7)10/h2-4,6,12-13H,5H2,1H3 |
| InChIKey | InChI | 1.06 | HENQNXDSAFLWPN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1c[nH]c2ccc(F)cc12 |
| SMILES | CACTVS | 3.385 | CNCc1c[nH]c2ccc(F)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNCc1c[nH]c2c1cc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNCc1c[nH]c2c1cc(cc2)F |
