Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- COc1c(N)ccc2c1CCC(N1CCOCC1)CC2
- InChIKey
- AVNFYDGGZOVTCI-UHFFFAOYSA-N
- 分子式
- C16H24N2O2
- 平均分子量
- 276.37 g/mol
- 单同位素质量
- 276.18377801
COMPUTED
结构计算性质
- XLogP
- 2
- 极性表面积
- 47.7 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 2
- 重原子
- 20
- 形式电荷
- 0
- 复杂度
- 307
ALIASES
名称与别名
SCHEMBL521323AVNFYDGGZOVTCI-UHFFFAOYSA-N1-Methoxy-7-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ylamineracemic 1-methoxy-7-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ylamine
REACTIONS
参与反应
uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08552186B2
查看uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08552186B2
查看uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08552186B2
查看uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08552186B2
查看uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08552186B2
查看uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08552186B2
查看uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08552186B2
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