| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2011 | 16 | Yes |
Popular Name: Ethylcoumarin-3-Carboxylate [1846-76-0]; (Coumarin-3-carboxylic acid ethyl ester) Ethylcoumarin-3-Carboxylate [184…
| 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) | 1.45 | 6.49 | -10.96 | 0 | 4 | 0 | 57 | 218.208 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| M.P | 93-95 C | Indofine |
| MP | 93-95o C | Indofine |
No pre-computed analogs available. Try a structural similarity search.