| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2009 | 14 | No |
Popular Name: 4,6-Dinitro-o-cresol 4,6-Dinitro-o-cresol
Find On: PubMed — Wikipedia — Google
CAS Number: 534-52-1
| 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) | 2.15 | 4.28 | -13.13 | 1 | 7 | 0 | 112 | 198.134 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.15 | 5.04 | -30.06 | 0 | 7 | -1 | 115 | 197.126 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | APIChem |
No pre-computed analogs available. Try a structural similarity search.