6HO
概要
| 表記: | (2,5-dihydro-1H-pyrrol-1-yl)(3-fluorophenyl)methanone |
| 組成式: | C11 H10 F N O |
| 電荷: | 0 |
| 化学式量: | 191.202 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 | (2,5-dihydro-1H-pyrrol-1-yl)(3-fluorophenyl)methanone |
| OpenEye OEToolkits | 2.0.4 | 2,5-dihydropyrrol-1-yl-(3-fluorophenyl)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 | c1(cc(ccc1)C(=O)N2CC=CC2)F |
| InChI | InChI | 1.03 | InChI=1S/C11H10FNO/c12-10-5-3-4-9(8-10)11(14)13-6-1-2-7-13/h1-5,8H,6-7H2 |
| InChIKey | InChI | 1.03 | IGCBBGNMEVMXTB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1cccc(c1)C(=O)N2CC=CC2 |
| SMILES | CACTVS | 3.385 | Fc1cccc(c1)C(=O)N2CC=CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)F)C(=O)N2CC=CC2 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)F)C(=O)N2CC=CC2 |
