| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 15 | No |
Popular Name: 2-(2,5-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one 2-(2,5-dimethylphenyl)-5-methyl-…
Find On: PubMed — Wikipedia — Google
CAS Number: 733795-38-5
| 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) | 2.58 | 6.64 | -14.84 | 1 | 3 | 0 | 38 | 202.257 | 1 | ↓ |
| Ref Reference (pH 7) | 2.60 | 6.78 | -11.87 | 0 | 3 | 0 | 33 | 202.257 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.04 | 4.59 | -7.39 | 1 | 3 | 0 | 38 | 202.257 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 164 - 166 | Enamine Building Blocks |
| MP | 164...166 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | US4153598; US4217272 | IBM Patent Data |
