4-nitro-2-octyl-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
4-nitro-2-octyl-1H-isoindole-1,3(2H)-dione
4-nitro-2-octyl-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K040-0030 |
| Compound Name: | 4-nitro-2-octyl-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 304.34 |
| Molecular Formula: | C16 H20 N2 O4 |
| Smiles: | CCCCCCCCN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7053 |
| logD: | 3.7053 |
| logSw: | -4.1502 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.822 |
| InChI Key: | GWRBFGHFCYMCFS-UHFFFAOYSA-N |