化合物信息

ID:8113

基本信息
化学结构
MolImage
分子式
C₁₀H₃F₁₉O
分子量
500.0998808
精确质量
499.9880509
电荷
0
InChI
InChI=1S/C10H3F19O/c11-2(12,1-30)3(13,8(21,22)23)5(15,16)7(19,20)6(17,18)4(14,9(24,25)26)10(27,28)29/h30H,1H2
InChIKey
ZVOWIXGGKDLFPF-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
Isomeric Smiles
C(CO)(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
计算属性
JChem
Acid pKa
12.703864
质子受体
1
质子供体
1
LogD (pH = 5.5)
5.5183334
LogD (pH = 7.4)
5.5183315
Log P
5.5183334
摩尔折射率
51.6036
极化性
20.335684
极化表面积
20.23
可自由旋转的化学键
9
里宾斯基五规则
false
数据来源
名称和标识
数据登录号
化合物性质
分子相关蛋白质
暂无数据
点击上传数据
分子图谱
暂无数据
点击上传数据
描述信息
参考文献
生物活性
导 航