| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2012 | 14 | No |
Popular Name: 4-methyl-3-nitrocinnoline 4-methyl-3-nitrocinnoline
Find On: PubMed — Wikipedia — Google
CAS Number: 20864-33-9
| 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) | 2.39 | 5.83 | -13.43 | 0 | 5 | 0 | 72 | 189.174 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 5.99 | -27.71 | 1 | 5 | 1 | 73 | 190.182 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 5.97 | -33.12 | 1 | 5 | 1 | 73 | 190.182 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
