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
- Nc1ncc(-c2ccc(O)cc2)nc1Cc1ccccc1
- InChIKey
- BWNPYAKFDUFNND-UHFFFAOYSA-N
- 分子式
- C17H15N3O
- 平均分子量
- 277.32 g/mol
- 单同位素质量
- 277.12151211
COMPUTED
结构计算性质
- XLogP
- 2.7
- 极性表面积
- 72 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 3
- 重原子
- 21
- 形式电荷
- 0
- 复杂度
- 311
ALIASES
名称与别名
37156-84-6CoelenteramineAF-3502-Amino-3-benzyl-5-(p-hydroxyphenyl)pyrazineCE63ZJ743VDTXSID30958363AF350Phenol, 4-(5-amino-6-(phenylmethyl)pyrazinyl)-Phenol, 4-[5-amino-6-(phenylmethyl)pyrazinyl]-4-(5-AMINO-6-(PHENYLMETHYL)-2-PYRAZINYL)PHENOLRefChem:912211DTXCID9017669754-(5-amino-6-benzylpyrazin-2-yl)phenol2-amino-3-benzyl-5-(4-hydroxyphenyl)pyrazineAF 3504-[5-azanyl-6-(phenylmethyl)pyrazin-2-yl]phenolEtioluciferinAETIOLUCIFERIN4-(5-Amino-6-benzyl-2-pyrazinyl)phenolEtioluciferin (oplophorus)
REACTIONS
相关反应
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