| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2011 | 10 | No |
Popular Name: 3-(sulfanylmethyl)benzonitrile 3-(sulfanylmethyl)benzonitrile
Find On: PubMed — Wikipedia — Google
CAS Number: N/A
| 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) | 1.96 | 5.73 | -5.85 | 0 | 1 | 0 | 24 | 149.218 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.96 | 6.27 | -42.09 | 0 | 1 | -1 | 24 | 148.21 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0228447A1; US4952580; WO1986007590A1 | IBM Patent Data |
