| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 15 | No |
Popular Name: Benzoic acid, 2,3-dihydroxy-4-nitro-, methyl ester (9CI) Benzoic acid, 2,3-dihydroxy-4-ni…
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CAS Number: 183005-93-8
| 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) | 1.57 | 2.27 | -9.68 | 2 | 7 | 0 | 113 | 213.145 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 3.34 | -42.56 | 1 | 7 | -1 | 115 | 212.137 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 3.33 | -43.82 | 1 | 7 | -1 | 115 | 212.137 | 3 | ↓ |
