| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 6th, 2007 | 13 | Yes |
Popular Name: 1,4,5-Naphthalenetriol 1,4,5-Naphthalenetriol
Find On: PubMed — Wikipedia — Google
CAS Number: [6312-53-4]
1,4,5-Trihydroxynaphthalene;a-Hydrojuglone;alpha-Hydrojuglone;Naphthalene-1,4,5-triol
| 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) | 1.28 | 3.67 | -8.26 | 1 | 3 | 0 | 54 | 176.171 | 0 | ↓ |
| Ref Reference (pH 7) | 2.34 | -0.37 | -8.54 | 3 | 3 | 0 | 61 | 176.171 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.28 | 4.66 | -47.18 | 0 | 3 | -1 | 57 | 175.163 | 0 | ↓ |
