In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2004 | 18 | Yes |
Popular Name: 8-(2-bromophenyl)-8-oxooctanoic acid 8-(2-bromophenyl)-8-oxooctanoic …
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CAS Number: 898765-30-5
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) | 4.03 | 10.21 | -49.88 | 0 | 3 | -1 | 57 | 312.183 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.03 | 8.23 | -11.72 | 1 | 3 | 0 | 54 | 313.191 | 8 | ↓ |