5-chloro-2-{4-[(1E)-N-hydroxyethanimidoyl]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-chloro-2-{4-[(1E)-N-hydroxyethanimidoyl]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
5-chloro-2-{4-[(1E)-N-hydroxyethanimidoyl]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4965-0020 |
| Compound Name: | 5-chloro-2-{4-[(1E)-N-hydroxyethanimidoyl]phenyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 318.76 |
| Molecular Formula: | C16 H15 Cl N2 O3 |
| Smiles: | C\C(c1ccc(cc1)N1C(C2CC=C(CC2C1=O)[Cl])=O)=N/O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8368 |
| logD: | 1.8368 |
| logSw: | -2.8362 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.265 |
| InChI Key: | HJLSBIOYAYQNPN-UHFFFAOYSA-N |