3-hydroxy-3-(1-nitropropyl)-1,3-dihydro-2H-indol-2-one
Chemical Structure Depiction of
3-hydroxy-3-(1-nitropropyl)-1,3-dihydro-2H-indol-2-one
3-hydroxy-3-(1-nitropropyl)-1,3-dihydro-2H-indol-2-one
Compound characteristics
| Compound ID: | 3817-0017 |
| Compound Name: | 3-hydroxy-3-(1-nitropropyl)-1,3-dihydro-2H-indol-2-one |
| Molecular Weight: | 236.22 |
| Molecular Formula: | C11 H12 N2 O4 |
| Smiles: | CCC(C1(C(Nc2ccccc12)=O)O)[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1276 |
| logD: | 0.9003 |
| logSw: | -2.3662 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.293 |
| InChI Key: | KDYOZDLMMKEDOB-UHFFFAOYSA-N |