N-(4,5-dicyano-2-nitrophenyl)valine
Chemical Structure Depiction of
N-(4,5-dicyano-2-nitrophenyl)valine
N-(4,5-dicyano-2-nitrophenyl)valine
Compound characteristics
| Compound ID: | 8018-1530 |
| Compound Name: | N-(4,5-dicyano-2-nitrophenyl)valine |
| Molecular Weight: | 288.26 |
| Molecular Formula: | C13 H12 N4 O4 |
| Smiles: | CC(C)C(C(O)=O)Nc1cc(C#N)c(C#N)cc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8873 |
| logD: | -2.6532 |
| logSw: | -1.94 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105 |
| InChI Key: | VNPFNMGCCQGWEE-LBPRGKRZSA-N |