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概要
| 表記: | 2-(2-HYDROXY-PHENYL)-1H-INDOLE-5-CARBOXAMIDINE |
| 組成式: | C15 H14 N3 O |
| 電荷: | 1 |
| 化学式量: | 252.291 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 | amino[2-(2-hydroxyphenyl)-1H-indol-5-yl]methaniminium |
| OpenEye OEToolkits | 1.5.0 | [amino-[2-(2-hydroxyphenyl)-1H-indol-5-yl]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 |
| SMILES | ACDLabs | 10.04 | Oc3ccccc3c2cc1cc(ccc1n2)\C(=[NH2+])N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=[NH2+])c1ccc2[nH]c(cc2c1)c3ccccc3O |
| SMILES | CACTVS | 3.341 | NC(=[NH2+])c1ccc2[nH]c(cc2c1)c3ccccc3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)O |
| InChI | InChI | 1.03 | InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)/p+1 |
| InChIKey | InChI | 1.03 | JPGNPKIYCTXJPG-UHFFFAOYSA-O |
