1-[(2-chloro-4-fluorophenyl)methyl]-3-formyl-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-3-formyl-1H-indole-2-carboxylic acid
1-[(2-chloro-4-fluorophenyl)methyl]-3-formyl-1H-indole-2-carboxylic acid
Compound characteristics
| Compound ID: | C800-0042 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-3-formyl-1H-indole-2-carboxylic acid |
| Molecular Weight: | 331.73 |
| Molecular Formula: | C17 H11 Cl F N O3 |
| Smiles: | C(c1ccc(cc1[Cl])F)n1c(C(O)=O)c(C=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.6977 |
| logD: | -0.3158 |
| logSw: | -3.8504 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.036 |
| InChI Key: | QRWUUOQSJVTTHH-UHFFFAOYSA-N |