| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 2nd, 2012 | 11 | No |
Popular Name: 3-Formyl-2-hydroxybenzonitrile 3-Formyl-2-hydroxybenzonitrile
Find On: PubMed — Wikipedia — Google
CAS Number: 858478-91-8
| 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) | 1.17 | 1.9 | -9.26 | 1 | 3 | 0 | 61 | 147.133 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.17 | 2.68 | -35.39 | 0 | 3 | -1 | 64 | 146.125 | 1 | ↓ |
| 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.
