rel-(6R,10S)-7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline--2,3-dihydroxybutanedioic acid (1/1)
Chemical Structure Depiction of
rel-(6R,10S)-7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline--2,3-dihydroxybutanedioic acid (1/1)
rel-(6R,10S)-7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline--2,3-dihydroxybutanedioic acid (1/1)
Compound characteristics
| Compound ID: | H050-0001 |
| Compound Name: | rel-(6R,10S)-7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline--2,3-dihydroxybutanedioic acid (1/1) |
| Molecular Weight: | 361.35 |
| Molecular Formula: | C13 H13 N3 |
| Salt: | HOOCCH(OH)CH(OH)COOH |
| Smiles: | C1[C@@H]2CNC[C@H]1c1cc3c(cc12)nccn3 |
| Stereo: | ABSOLUTE |
| logP: | 1.3258 |
| logD: | 1.2429 |
| logSw: | -1.6409 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.0656 |
| InChI Key: | JQSHBVHOMNKWFT-DTORHVGOSA-N |