Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- Nc1n[nH]c2cccc(I)c12
- InChIKey
- OEQIVIYSUJXCFG-UHFFFAOYSA-N
- 分子式
- C7H6IN3
- 平均分子量
- 259.05 g/mol
- 单同位素质量
- 258.96064
COMPUTED
结构计算性质
- XLogP
- 1.9
- 极性表面积
- 54.7 Ų
- 氢键供体
- 2
- 氢键受体
- 2
- 可旋转键
- 0
- 重原子
- 11
- 形式电荷
- 0
- 复杂度
- 153
ALIASES
名称与别名
4-iodo-1H-indazol-3-amine599191-73-8DTXSID60398859RefChem:293495DTXCID903497184-Iodo-1H-indazol-3-ylamine3-Amino-4-iodo-1H-indazoleMFCD03426697CHEMBL42264861H-INDAZOL-3-AMINE, 4-IODO-3-Amino-4-iodoindazole4-Iodo-1H-indazol-amine4-iodo-1H-indazole-3-amineSCHEMBL4209884-iodo-1H-indazole-3-ylamineSCHEMBL29371666OEQIVIYSUJXCFG-UHFFFAOYSA-NCS-M0335BDBM50459976SBB052089
REACTIONS
参与反应
uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642776B2
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uspto-grants-2005_09 · 10.6084/m9.figshare.5104873.v1 · US06949579B2
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uspto-grants-2005_09 · 10.6084/m9.figshare.5104873.v1 · US06949579B2
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uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08063091B2
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uspto-grants-2016_01 · 10.6084/m9.figshare.5104873.v1 · US09233968B1
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uspto-grants-2015_01 · 10.6084/m9.figshare.5104873.v1 · US08940778B2
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uspto-grants-2007_11 · 10.6084/m9.figshare.5104873.v1 · US07297709B2
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