| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2008 | 18 | No |
Popular Name: 3-Oxo-4-(1,3,3-trimethyl-1,3-dihydro-indol-2-ylidene)-butyronitrile 3-Oxo-4-(1,3,3-trimethyl-1,3-dih…
Find On: PubMed — Wikipedia — Google
CAS Number: 97214-25-0
| 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) | 2.26 | 8.73 | -14.72 | 0 | 3 | 0 | 44 | 240.306 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
