UWV
概要
| 表記: | 2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline |
| 組成式: | C10 H10 F N3 |
| 電荷: | 0 |
| 化学式量: | 191.205 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 | 2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline |
| OpenEye OEToolkits | 2.0.7 | 2-fluoranyl-~{N}-(1~{H}-pyrazol-3-ylmethyl)aniline |
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 | n2nc(CNc1ccccc1F)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C10H10FN3/c11-9-3-1-2-4-10(9)12-7-8-5-6-13-14-8/h1-6,12H,7H2,(H,13,14) |
| InChIKey | InChI | 1.03 | IREDHAFKGFKXRR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccccc1NCc2cc[nH]n2 |
| SMILES | CACTVS | 3.385 | Fc1ccccc1NCc2cc[nH]n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)NCc2cc[nH]n2)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)NCc2cc[nH]n2)F |
