| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2008 | 11 | No |
Popular Name: 4-Nitrobenzene-1,3-diol 4-Nitrobenzene-1,3-diol
Find On: PubMed — Wikipedia — Google
CAS Number: 3163-07-3
| 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) | 1.13 | 1.33 | -46.2 | 1 | 5 | -1 | 89 | 154.101 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | 1.09 | -36.85 | 1 | 5 | -1 | 89 | 154.101 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | 0.31 | -17.5 | 2 | 5 | 0 | 86 | 155.109 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 115 - 117 | Enamine Building Blocks |
| MP | 115...117 | Enamine Building Blocks |
| MP | 122° | Matrix Scientific |
| BP | 178° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
