In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 12th, 2008 | 14 | No |
Popular Name: 5-Hydroxy-7-methylnaphthalene-1,4-dione 5-Hydroxy-7-methylnaphthalene-1,…
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CAS Number: 14787-38-3
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) | 1.68 | 4.34 | -8.02 | 1 | 3 | 0 | 54 | 190.198 | 0 | ↓ |
Hi High (pH 8-9.5) | 1.68 | 5.33 | -48.5 | 0 | 3 | -1 | 57 | 189.19 | 0 | ↓ |