QZ1
概要
| 表記: | 2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid |
| 組成式: | C19 H22 F N O2 |
| 電荷: | 0 |
| 化学式量: | 315.382 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-6-[(3-hexylphenyl)amino]benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 2-fluoranyl-6-[(3-hexylphenyl)amino]benzoic acid |
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 | c1cc(c(c(F)c1)C(O)=O)Nc2cccc(c2)CCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C19H22FNO2/c1-2-3-4-5-8-14-9-6-10-15(13-14)21-17-12-7-11-16(20)18(17)19(22)23/h6-7,9-13,21H,2-5,8H2,1H3,(H,22,23) |
| InChIKey | InChI | 1.03 | QLXYHXDPYBBBIM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCc1cccc(Nc2cccc(F)c2C(O)=O)c1 |
| SMILES | CACTVS | 3.385 | CCCCCCc1cccc(Nc2cccc(F)c2C(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCc1cccc(c1)Nc2cccc(c2C(=O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCc1cccc(c1)Nc2cccc(c2C(=O)O)F |
