2-[(4-chloro-2-nitroanilino)methyl]-1-methyl-1H-indole-3-carbonitrile
Chemical Structure Depiction of
2-[(4-chloro-2-nitroanilino)methyl]-1-methyl-1H-indole-3-carbonitrile
2-[(4-chloro-2-nitroanilino)methyl]-1-methyl-1H-indole-3-carbonitrile
Compound characteristics
| Compound ID: | 8011-6091 |
| Compound Name: | 2-[(4-chloro-2-nitroanilino)methyl]-1-methyl-1H-indole-3-carbonitrile |
| Molecular Weight: | 340.77 |
| Molecular Formula: | C17 H13 Cl N4 O2 |
| Smiles: | Cn1c(CNc2ccc(cc2[N+]([O-])=O)[Cl])c(C#N)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.0177 |
| logD: | 4.0177 |
| logSw: | -4.6795 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.704 |
| InChI Key: | RFJHIODQCHUSBT-UHFFFAOYSA-N |