| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 18th, 2009 | 12 | No |
Popular Name: 3-(dimethylamino)-2-(3-thienyl)acrylonitrile 3-(dimethylamino)-2-(3-thienyl)a…
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CAS Number: 165404-39-7
| 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) | 1.23 | 5.58 | -7.7 | 0 | 2 | 0 | 27 | 178.26 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.23 | 4.83 | -40.13 | 1 | 2 | 1 | 28 | 179.268 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 74 - 76 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.