196
概要
| 表記: | 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXY-1-NAPHTHONITRILE |
| 組成式: | C17 H10 F N O2 |
| 電荷: | 0 |
| 化学式量: | 279.265 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthalene-1-carbonitrile |
| OpenEye OEToolkits | 1.5.0 | 3-(3-fluoro-4-hydroxy-phenyl)-7-hydroxy-naphthalene-1-carbonitrile |
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 | 10.04 | Fc3cc(c2cc1ccc(O)cc1c(C#N)c2)ccc3O |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc2cc(cc(C#N)c2c1)c3ccc(O)c(F)c3 |
| SMILES | CACTVS | 3.341 | Oc1ccc2cc(cc(C#N)c2c1)c3ccc(O)c(F)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc(cc2C#N)c3ccc(c(c3)F)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc2c1cc(cc2C#N)c3ccc(c(c3)F)O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H10FNO2/c18-16-7-10(2-4-17(16)21)12-5-11-1-3-14(20)8-15(11)13(6-12)9-19/h1-8,20-21H |
| InChIKey | InChI | 1.03 | NSSOSHDCWCMNDM-UHFFFAOYSA-N |
