5-chloro-2-(4-hydroxybutyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-chloro-2-(4-hydroxybutyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
5-chloro-2-(4-hydroxybutyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4386-0339 |
| Compound Name: | 5-chloro-2-(4-hydroxybutyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 257.71 |
| Molecular Formula: | C12 H16 Cl N O3 |
| Smiles: | C(CCO)CN1C(C2CC=C(CC2C1=O)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8086 |
| logD: | 0.8086 |
| logSw: | -1.9532 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.589 |
| InChI Key: | DQPAUWCBHXPQSA-UHFFFAOYSA-N |