1-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
1-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0079 |
| Compound Name: | 1-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 243.26 |
| Molecular Formula: | C13 H13 N3 O2 |
| Smiles: | Cc1c(C(O)=O)nnn1c1ccc2CCCc2c1 |
| Stereo: | ACHIRAL |
| logP: | 1.6599 |
| logD: | -4.5074 |
| logSw: | -1.8387 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.776 |
| InChI Key: | DKXBLKWAKIBPPD-UHFFFAOYSA-N |