Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- O=C1NCCc2[nH]c3ccccc3c21
- InChIKey
- LFBMTFQWORFEHB-UHFFFAOYSA-N
- 分子式
- C11H10N2O
- 平均分子量
- 186.21 g/mol
- 单同位素质量
- 186.07931295
COMPUTED
结构计算性质
- XLogP
- 1.4
- 极性表面积
- 44.9 Ų
- 氢键供体
- 2
- 氢键受体
- 1
- 可旋转键
- 0
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 254
ALIASES
名称与别名
122852-78-22,3,4,5-Tetrahydro-1H-pyrido[4,3-b]indol-1-one1H-Pyrido[4,3-b]indol-1-one, 2,3,4,5-tetrahydro-2,3,4,5-tetrahydropyrido[4,3-b]indol-1-oneSCHEMBL1286LFBMTFQWORFEHB-UHFFFAOYSA-NDB-364314CS-0062535D732222,3,4,5-tetrahydro-pyrido[4,3-b]indol-1-one3,4-dihydro-2H-pyrido[4,3-b]indol-1(5H)-on
REACTIONS
参与反应
Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
查看uspto-grants-1993_03 · 10.6084/m9.figshare.5104873.v1 · US05196534
查看uspto-grants-1993_03 · 10.6084/m9.figshare.5104873.v1 · US05196534
查看Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D
查看uspto-grants-1994_11 · 10.6084/m9.figshare.5104873.v1 · US05360800
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