uspto-grants-1988_02 · 10.6084/m9.figshare.5104873.v1 · US04725616
查看![5H-[1,3]dioxolo[4,5-f]indole 分子结构式](/api/mol/260797/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- c1cc2cc3c(cc2[nH]1)OCO3
- InChIKey
- HXCHORPNRVSDCD-UHFFFAOYSA-N
- 分子式
- C9H7NO2
- 平均分子量
- 161.16 g/mol
- 单同位素质量
- 161.04767847
COMPUTED
结构计算性质
- XLogP
- 1.9
- 极性表面积
- 34.3 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 0
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 185
ALIASES
名称与别名
5H-[1,3]dioxolo[4,5-f]indole5,6-MethylenedioxyindoleMFCD00046910NSC925165,6-methylendioxyindol5H-1,5-f]indole5,6-methylenedioxy-indole2H,5H-[1,3]DIOXOLO[4,5-F]INDOLENCIOpen2_001545Oprea1_641216SCHEMBL612104SCHEMBL6954088SCHEMBL9739358CHEMBL4852117SCHEMBL29755838DTXSID30949519NSC-92516STL512564WLN: T C565 DO FO LM EHJAKOS022184947
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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uspto-grants-1988_12 · 10.6084/m9.figshare.5104873.v1 · US04791129
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uspto-grants-1996_05 · 10.6084/m9.figshare.5104873.v1 · US05516915
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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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uspto-grants-2002_09 · 10.6084/m9.figshare.5104873.v1 · US06455525B1
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uspto-grants-1976_08 · 10.6084/m9.figshare.5104873.v1 · US03976639
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uspto-grants-1995_01 · 10.6084/m9.figshare.5104873.v1 · US05380746
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