2-[(3-methylanilino)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[(3-methylanilino)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
2-[(3-methylanilino)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3983-0220 |
| Compound Name: | 2-[(3-methylanilino)methyl]-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 311.29 |
| Molecular Formula: | C16 H13 N3 O4 |
| Smiles: | Cc1cccc(c1)NCN1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9889 |
| logD: | 2.9889 |
| logSw: | -3.381 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.033 |
| InChI Key: | QXQLZJVDHYOTTP-UHFFFAOYSA-N |