1-(2H-1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
1-(2H-1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Compound characteristics
| Compound ID: | K082-0007 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid |
| Molecular Weight: | 336.35 |
| Molecular Formula: | C19 H16 N2 O4 |
| Smiles: | C1C(C(O)=O)NC(c2ccc3c(c2)OCO3)c2c1c1ccccc1[nH]2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9583 |
| logD: | -0.5771 |
| logSw: | -2.7116 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.323 |
| InChI Key: | MDXJJOKTGDJRNN-UHFFFAOYSA-N |