| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 17 | No |
Popular Name: ethyl (2E)-3-[(4-bromophenyl)amino]-2-cyanoprop-2-enoate ethyl (2E)-3-[(4-bromophenyl)ami…
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CAS Number: 59747-00-1
| 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) | 2.74 | 7.4 | -8.44 | 1 | 4 | 0 | 62 | 295.136 | 5 | ↓ |
| Ref Reference (pH 7) | 2.74 | 7.68 | -8.69 | 1 | 4 | 0 | 62 | 295.136 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 149 - 151 | Enamine Building Blocks |
| MP | 149...151 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.