| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 10th, 2010 | 14 | No |
Popular Name: 2-[(Dimethylamino)methyl]-4-nitrophenol 2-[(Dimethylamino)methyl]-4-nitr…
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CAS Numbers: , 2977-73-3
| 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) | 1.62 | 4.56 | -45.94 | 2 | 5 | 1 | 70 | 197.214 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.62 | 2.71 | -32.48 | 0 | 5 | -1 | 72 | 195.198 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 5.21 | -28.58 | 1 | 5 | 0 | 73 | 196.206 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
