Name: Atanine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212525042
Cas No:7282-19-1
常用名:Atanine
IUPAC:4-methoxy-3-(3-methylbut-2-en-1-yl)-1,2-dihydroquinolin-2-one
IUPAC:4-methoxy-3-(3-methylbut-2-en-1-yl)-1,2-dihydroquinolin-2-one
InChI key:SPIWINZXMDJUPE-UHFFFAOYSA-N

分子式:C15H17NO2
分子量:243.306
氢键供体数 (HBD):1
氢键受体数 (HBA):2
LogP:2.567
SMILES:COc1c(CC=C(C)C)c(=O)[nH]c2ccccc12 |(11.81,-20.79,;13.14,-21.56,;13.14,-23.1,;14.47,-23.87,;15.81,-23.1,;17.14,-23.87,;18.47,-23.1,;19.81,-23.87,;18.47,-21.56,;14.47,-25.41,;15.81,-26.18,;13.14,-26.18,;11.81,-25.41,;10.47,-26.18,;9.14,-25.41,;9.14,-23.87,;10.47,-23.1,;11.81,-23.87,)|
SMILES:COc1c(CC=C(C)C)c(=O)[nH]c2ccccc12 |(11.81,-20.79,;13.14,-21.56,;13.14,-23.1,;14.47,-23.87,;15.81,-23.1,;17.14,-23.87,;18.47,-23.1,;19.81,-23.87,;18.47,-21.56,;14.47,-25.41,;15.81,-26.18,;13.14,-26.18,;11.81,-25.41,;10.47,-26.18,;9.14,-25.41,;9.14,-23.87,;10.47,-23.1,;11.81,-23.87,)|

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