In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2004 | 28 | Yes |
Popular Name: 2-methyl-6-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)nicotinonitrile 2-methyl-6-(4-methylphenyl)-4-(3…
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CAS Number: 865658-16-8
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) | 4.54 | 3.77 | -11.07 | 0 | 5 | 0 | 64 | 374.44 | 5 | ↓ |
Lo Low (pH 4.5-6) | 4.54 | 3.86 | -43.01 | 1 | 5 | 1 | 65 | 375.448 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
melting_point | 182 - 183 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.