1721-92-2 ((Quinoline, 2-methyl-4-phenyl-)

快速询单

结构式：

Quinoline, 2-methyl-4-phenyl-MOL文件

CAS号：

1721-92-2

英文名称：

Quinoline, 2-methyl-4-phenyl-

分子式：

C₁₆H₁₃N

分子量：

219.281123876572

Quinoline, 2-methyl-4-phenyl-(1721-92-2)名称与标识符

名称

英文别名：

Quinoline, 2-methyl-4-phenyl-;2-methyl-4-phenylquinoline;2-methyl 4-phenyl quinoline;SCHEMBL1104820;DTXSID50346526;1721-92-2;2-methyl-4-phenyl-quinoline;

标识符

InChIKey：

MBXIOFXLAGTBGI-UHFFFAOYSA-N

Inchi：

1S/C16H13N/c1-12-11-15(13-7-3-2-4-8-13)14-9-5-6-10-16(14)17-12/h2-11H,1H3

SMILES：

N1C(C)=CC(C2C=CC=CC=2)=C2C=CC=CC=12

Quinoline, 2-methyl-4-phenyl-(1721-92-2)物化性质

实验特性

PSA : 12.89

计算特性

精确分子量 : 219.10489
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 1
同位素质量 : 219.104799419g/mol
重原子数量 : 17
复杂度 : 244
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 4.2
拓扑分子极性表面积 : 12.9Å²

Quinoline, 2-methyl-4-phenyl-(1721-92-2)相关文献

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