WLJ
概要
| 表記: | (azepan-1-yl)(2,6-difluorophenyl)methanone |
| 組成式: | C13 H15 F2 N O |
| 電荷: | 0 |
| 化学式量: | 239.261 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 | (azepan-1-yl)(2,6-difluorophenyl)methanone |
| OpenEye OEToolkits | 2.0.7 | azepan-1-yl-[2,6-bis(fluoranyl)phenyl]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 |
| SMILES | ACDLabs | 12.01 | C1CN(CCCC1)C(c2c(cccc2F)F)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H15F2NO/c14-10-6-5-7-11(15)12(10)13(17)16-8-3-1-2-4-9-16/h5-7H,1-4,8-9H2 |
| InChIKey | InChI | 1.03 | RRINWFXOXXUQGK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(F)c1C(=O)N2CCCCCC2 |
| SMILES | CACTVS | 3.385 | Fc1cccc(F)c1C(=O)N2CCCCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)F)C(=O)N2CCCCCC2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)F)C(=O)N2CCCCCC2)F |
