uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05246929
查看IDENTITY
结构与身份
- 标准SMILES
- O=C1Nc2c(ccc3ccccc23)SC1c1ccc(Cl)cc1
- InChIKey
- LUGYPSRTEBENPR-UHFFFAOYSA-N
- 分子式
- C18H12ClNOS
- 平均分子量
- 325.8 g/mol
- 单同位素质量
- 325.0328129
COMPUTED
结构计算性质
- XLogP
- 5
- 极性表面积
- 54.4 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子
- 22
- 形式电荷
- 0
- 复杂度
- 423
ALIASES
名称与别名
SCHEMBL7276863LUGYPSRTEBENPR-UHFFFAOYSA-N3-(4-chlorophenyl)-1H-naphtho-[2,1-b][1,4]thiazin-2(3H)-one3-(4-chlorophenyl)-1H-naphtho[2,1-b ][1,4]thiazin-2(3H)-one3-(4-chlorophenyl)-1H-naphtho[2,1-b][1,4]thiazin-2(3H)-one3-(4-chlorphenyl)-1H-naphtho[2,1-b][1,4]thiazin-2(3H)-one
REACTIONS
相关反应
uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05246929
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查看uspto-grants-1994_01 · 10.6084/m9.figshare.5104873.v1 · US05281592
查看Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
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