WGS
概要
| 表記: | 3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine |
| 組成式: | C11 H15 F N2 O |
| 電荷: | 0 |
| 化学式量: | 210.248 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 | 3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine |
| OpenEye OEToolkits | 2.0.7 | 3-fluoranyl-~{N}-(oxan-4-ylmethyl)pyridin-2-amine |
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 | N(c1c(F)cccn1)CC2CCOCC2 |
| InChI | InChI | 1.03 | InChI=1S/C11H15FN2O/c12-10-2-1-5-13-11(10)14-8-9-3-6-15-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,13,14) |
| InChIKey | InChI | 1.03 | RDLLIXJKRKAZRZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccnc1NCC2CCOCC2 |
| SMILES | CACTVS | 3.385 | Fc1cccnc1NCC2CCOCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(nc1)NCC2CCOCC2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(nc1)NCC2CCOCC2)F |
