In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2010 | 19 | Yes |
Popular Name: 4-Isoxazolecarboxylic acid, 3-ethyl-5-(3-iodophenyl)-, ethyl ester (9CI) 4-Isoxazolecarboxylic acid, 3-et…
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CAS Number: 211941-70-7
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) | 4.33 | 9.18 | -6.78 | 0 | 4 | 0 | 52 | 371.174 | 5 | ↓ |