5-chloro-3-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
5-chloro-3-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
5-chloro-3-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C289-0431 |
| Compound Name: | 5-chloro-3-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid |
| Molecular Weight: | 387.78 |
| Molecular Formula: | C18 H14 Cl N3 O5 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)NC(Cc1c2cc(ccc2[nH]c1C(O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0218 |
| logD: | 0.4674 |
| logSw: | -3.414 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.027 |
| InChI Key: | XFIRUFICMTZWKS-UHFFFAOYSA-N |