1-methyl-2-[(2-nitroanilino)methyl]-1H-indole-3-carbonitrile
Chemical Structure Depiction of
1-methyl-2-[(2-nitroanilino)methyl]-1H-indole-3-carbonitrile
1-methyl-2-[(2-nitroanilino)methyl]-1H-indole-3-carbonitrile
Compound characteristics
| Compound ID: | 4237-0490 |
| Compound Name: | 1-methyl-2-[(2-nitroanilino)methyl]-1H-indole-3-carbonitrile |
| Molecular Weight: | 306.32 |
| Molecular Formula: | C17 H14 N4 O2 |
| Smiles: | Cn1c(CNc2ccccc2[N+]([O-])=O)c(C#N)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.3509 |
| logD: | 3.3509 |
| logSw: | -3.6995 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.704 |
| InChI Key: | DUPCOEGIGNPNQY-UHFFFAOYSA-N |