| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 21 | Yes |
Popular Name: 4,5-Isoxazoledicarboxylic acid, 3-phenyl-, diethyl ester (9CI) 4,5-Isoxazoledicarboxylic acid, …
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CAS Number: 82164-04-3
| 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) | 2.68 | 8.41 | -8.43 | 0 | 6 | 0 | 79 | 289.287 | 7 | ↓ |
