| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 20 | No |
Popular Name: methyl 2-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-yliden)methyl]amino}acetate methyl 2-{[(3-methyl-5-oxo-1-phe…
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CAS Number: 159592-98-0
| 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) | 1.41 | 2.8 | -11.6 | 1 | 6 | 0 | 77 | 273.292 | 5 | ↓ |
| Ref Reference (pH 7) | 0.89 | 6 | -27.77 | 1 | 6 | 0 | 73 | 273.292 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 4.43 | -42.26 | 2 | 6 | 1 | 78 | 274.3 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.41 | 3.83 | -40.23 | 2 | 6 | 1 | 78 | 274.3 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 145 - 147 | KeyOrganics |
