| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2009 | 10 | No |
Popular Name: 2-Chloro-5-methylbenzonitrile 2-Chloro-5-methylbenzonitrile
| 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) | 2.83 | 4.96 | -45.97 | 0 | 1 | -1 | 9 | 173.644 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.83 | 4.42 | -3.61 | 0 | 1 | 0 | 9 | 174.652 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.
