1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-1-(3-methylbenzoyl)- | 807615-05-0
1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-1-(3-methylbenzoyl)-
807615-05-0
C19H17NO4
323.34258
名称和标识符
InChIKey |
YHWTWNQKOQXEFG-UHFFFAOYSA-N |
Inchi |
InChI=1S/C19H17NO4/c1-11-4-3-5-13(8-11)19(24)20-12(2)15(10-18(22)23)16-9-14(21)6-7-17(16)20/h3-9,21H,10H2,1-2H3,(H,22,23) |
SMILES |
CC1=CC(=CC=C1)C(=O)N2C(=C(C3=C2C=CC(=C3)O)CC(=O)O)C |
别名信息
- 英文别名 -
- 1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-1-(3-methylbenzoyl)-
- 2-[5-hydroxy-2-methyl-1-(3-methylbenzoyl)indol-3-yl]acetic acid
- SCHEMBL6026590
- SCHEMBL6026590
- SCHEMBL6026590
- 807615-05-0
- 807615-05-0
- 807615-05-0
- DTXSID00741047
- DTXSID00741047
- DTXSID00741047
- [5-hydroxy-2-methyl-1-(3-methylbenzoyl)-1h-indol-3-yl]acetic acid
- [5-hydroxy-2-methyl-1-(3-methylbenzoyl)-1h-indol-3-yl]acetic acid
- [5-hydroxy-2-methyl-1-(3-methylbenzoyl)-1h-indol-3-yl]acetic acid
物化性质
计算特性
精确分子量 |
323.11575802g/mol |
氢键供体数量 |
2 |
氢键受体数量 |
4 |
可旋转化学键数量 |
3 |
同位素质量 |
323.11575802g/mol |
重原子数量 |
24 |
复杂度 |
494 |
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) |
3.7 |
拓扑分子极性表面积 |
79.5Ų |
1H-Indole-3-acetic acid, 5-hydroxy-2-methyl-1-(3-methylbenzoyl)-推荐生产厂家