| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 17 | Yes |
Popular Name: Ethyl 3-amino-5-methoxy-1H-indole-2-carboxylate Ethyl 3-amino-5-methoxy-1H-indol…
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CAS Numbers: , 1217644-25-1 , 89607-80-7 , [1217644-25-1]
3-Amino-5-methoxy-1H-indole-2-carboxylic acid ethyl ester
3-Amino-5-methoxy-1H-indole-2-carboxylic acidethyl ester
3-amino-5-methoxy-1h-indole-2-carboxylicacidethylester
| 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) | 2.05 | 3.29 | -7.27 | 3 | 5 | 0 | 77 | 234.255 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.51 | 2.78 | -31.07 | 3 | 5 | 1 | 76 | 235.263 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.51 | 2.78 | -31.05 | 3 | 5 | 1 | 76 | 235.263 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95+% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.