| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 16th, 2006 | 13 | No |
Popular Name: 3-hydroxy-1-methyl-1H-indole-2-carbaldehyde 3-hydroxy-1-methyl-1H-indole-2-c…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 698363-50-7 , 99430-49-6
1H-Indole-2-carboxaldehyde, 3-hydroxy-1-methyl- (9CI)
3H-Indol-3-one, 1,2-dihydro-2-(hydroxymethylene)-1-methyl- (9CI)
| 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) | 1.97 | 3.78 | -10.65 | 1 | 3 | 0 | 42 | 175.187 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.97 | 4.71 | -55.91 | 0 | 3 | -1 | 45 | 174.179 | 1 | ↓ |
