In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2010 | 22 | Yes |
Popular Name: 4-Isoxazolecarboxylic acid, 5-(4-chlorophenyl)-3-phenyl-, methyl ester (9CI) 4-Isoxazolecarboxylic acid, 5-(4…
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CAS Number: 115665-06-0
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) | 4.45 | 9.94 | -8.54 | 0 | 4 | 0 | 52 | 313.74 | 4 | ↓ |