8NE
概要
| 表記: | [azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium |
| 組成式: | C8 H8 F3 N2 |
| 電荷: | 1 |
| 化学式量: | 189.158 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 | 2.0.6 | [azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium |
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 | 1.03 | InChI=1S/C8H7F3N2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)/p+1 |
| InChIKey | InChI | 1.03 | XFLGYXVBXUAGQV-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=[NH2+])c1ccc(cc1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | NC(=[NH2+])c1ccc(cc1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=[NH2+])N)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(=[NH2+])N)C(F)(F)F |
