4-(2-carboxyethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-4-ium
Chemical Structure Depiction of
4-(2-carboxyethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-4-ium
4-(2-carboxyethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-4-ium
Compound characteristics
| Compound ID: | 8016-4950 |
| Compound Name: | 4-(2-carboxyethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-4-ium |
| Molecular Weight: | 311.18 |
| Molecular Formula: | C13 H15 N2 O2 |
| Salt: | Br- |
| Smiles: | C1Cc2n(C1)c1ccccc1[n+]2CCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.171 |
| logD: | -1.6364 |
| logSw: | -1.6076 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.127 |
| InChI Key: | DFQCUGMJCZSMCP-UHFFFAOYSA-O |