| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 18 | No |
Popular Name: 4-Isoxazolecarboxylic acid, 5-(bromomethyl)-3-phenyl-, ethyl ester (9CI) 4-Isoxazolecarboxylic acid, 5-(b…
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CAS Number: 80728-13-8
| 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) | 3.18 | 8.2 | -8.06 | 0 | 4 | 0 | 52 | 310.147 | 5 | ↓ |
