| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 13 | Yes |
Popular Name: 3-Methyl-1H-indole-2-carboxylic acid 3-Methyl-1H-indole-2-carboxylic …
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10590-73-5 , [10590-73-5]
| 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) | 2.35 | -0.37 | -48.61 | 1 | 3 | -1 | 56 | 174.179 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 162 - 163 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 164° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.