9-(2-carboxyphenyl)-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium--chloride (1/1)
Chemical Structure Depiction of
9-(2-carboxyphenyl)-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium--chloride (1/1)
9-(2-carboxyphenyl)-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium--chloride (1/1)
Compound characteristics
| Compound ID: | 8006-1097 |
| Compound Name: | 9-(2-carboxyphenyl)-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium--chloride (1/1) |
| Molecular Weight: | 479.02 |
| Molecular Formula: | C28 H31 N2 O3 |
| Salt: | Cl- |
| Smiles: | CCN(CC)c1ccc2C(=C3C=CC(C=C3Oc2c1)=[N+](CC)CC)c1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8104 |
| logD: | 1.3978 |
| logSw: | -5.2993 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.19 |
| InChI Key: | CVAVMIODJQHEEH-UHFFFAOYSA-O |