In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 13 | Yes |
Popular Name: 6-Methyl-1H-indole-3-carboxylic acid 6-Methyl-1H-indole-3-carboxylic …
Find On: PubMed — Wikipedia — Google
CAS Numbers: 209920-43-4 , [209920-43-4]
6-methyl-1h-indole-3-carboxylicacid
6-methyl-1H-indole-3-carbpxylic acid
6-Methylindole-3-carboxylic acid
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.08 | 5.79 | -55.73 | 1 | 3 | -1 | 56 | 174.179 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.33 | 6.01 | -37.89 | 1 | 3 | 0 | 54 | 175.187 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.33 | 5.96 | -35.67 | 1 | 3 | 0 | 54 | 175.187 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Fluorochem |
Purity | 95+% | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |