HCID86689009

3-(4-Cyclopropylmethoxy-phenoxy)-azetidine

3-[4-(cyclopropylmethoxy)phenoxy]azetidine

C13H17NO2219.28 g/mol

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IDENTITY

结构与身份

标准SMILES: c1cc(OC2CNC2)ccc1OCC1CC1
InChIKey: FRGMVZKRIYVALK-UHFFFAOYSA-N
分子式: C13H17NO2
平均分子量: 219.28 g/mol
单同位素质量: 219.12592879

COMPUTED

结构计算性质

等待补全

XLogP: 2
极性表面积: 30.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 5
重原子: 16
形式电荷: 0
复杂度: 218

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 7 条

3-(4-Cyclopropylmethoxy-phenoxy)-azetidine1446008-06-53-[4-(cyclopropylmethoxy)phenoxy]azetidineSCHEMBL15064720FRGMVZKRIYVALK-UHFFFAOYSA-N3-(4-Cyclopropylmethoxyphenoxy)-azetidineA1-14688

REACTIONS

相关反应

8 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530461B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530461B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530461B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530461B2

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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