Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看![13-chloro-5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaen-11-one 分子结构式](/api/mol/178515119/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- O=C1c2c(Cl)cccc2-n2cnc(-c3noc(CCl)n3)c2C2CCN12
- InChIKey
- JGUYAEJMTSLXEX-UHFFFAOYSA-N
- 分子式
- C16H11Cl2N5O2
- 平均分子量
- 376.2 g/mol
- 单同位素质量
- 375.02898
COMPUTED
结构计算性质
- XLogP
- 1.9
- 极性表面积
- 77.1 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 2
- 重原子
- 25
- 形式电荷
- 0
- 复杂度
- 555
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
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