| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 1st, 2009 | 15 | Yes |
Popular Name: Methyl 3-cyanoindole-6-carboxylate Methyl 3-cyanoindole-6-carboxylate
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CAS Numbers: 1000576-51-1 , [1000576-51-1]
3-Cyano-1H-indole-6-carboxylic acid methyl ester
3-Cyanoindole-6-carboxylic acid methyl ester
METHYL 3-CYANO-1H-INDOLE-6-CARBOXYLATE
Methyl 3-cyanoindole-6-carboxylate, 97%
| 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) | 1.99 | 5.6 | -13.28 | 1 | 4 | 0 | 66 | 200.197 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.