| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| A478996-1g |
1g |
期货  |
|
| 英文别名 | cid_3124342 | 3a,4,5,9b-Tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid | Oprea1_268521 | BDBM31725 | TimTec1_008148 | 3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA[C]QUINOLINE-4-CARBOXYLICACID | SR-01000316228-1 | SR-01000316228 | AKOS022061398 | MLS-0111561 |
|---|---|
| 规格或纯度 | 试剂级 |
| 英文名称 | 3a,4,5,9b-Tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid |
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| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IUPAC Name | 3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid |
| INCHI | InChI=1S/C13H13NO2/c15-13(16)12-10-6-3-5-8(10)9-4-1-2-7-11(9)14-12/h1-5,7-8,10,12,14H,6H2,(H,15,16) |
| InChi Key | WRJCENKZISEXPF-UHFFFAOYSA-N |
| Canonical SMILES | C1C=CC2C1C(NC3=CC=CC=C23)C(=O)O |
| Isomeric SMILES | C1C=CC2C1C(NC3=CC=CC=C23)C(=O)O |
| PubChem CID | 3124342 |
| 分子量 | 215.25 |
| 分子量 | 215.250 g/mol |
|---|---|
| XLogP3 | 2.500 |
| 氢键供体数Hydrogen Bond Donor Count | 2 |
| 氢键受体数Hydrogen Bond Acceptor Count | 3 |
| 可旋转键计数Rotatable Bond Count | 1 |
| 精确质量Exact Mass | 215.095 Da |
| 单同位素质量Monoisotopic Mass | 215.095 Da |
| 拓扑极表面积Topological Polar Surface Area | 49.300 Ų |
| 重原子数Heavy Atom Count | 16 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 326.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 3 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
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