| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2009 | 16 | No |
Popular Name: 2-Propenoic acid, 3-(4,5-dihydroxy-2-nitrophenyl)-, (2E)- (9CI) 2-Propenoic acid, 3-(4,5-dihydro…
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CAS Number: 402932-81-4
| 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) | 0.65 | 1.61 | -63.97 | 2 | 7 | -1 | 126 | 224.148 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.65 | 2.08 | -92.91 | 1 | 7 | -2 | 129 | 223.14 | 3 | ↓ |
