| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2004 | 11 | Yes |
Popular Name: 1H-indole-2-carbonitrile 1H-indole-2-carbonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 36193-65-4 , [36193-65-4]
| 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) | 2.15 | 4.79 | -4.82 | 1 | 2 | 0 | 40 | 142.161 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.15 | 4.35 | -31.09 | 0 | 2 | -1 | 38 | 141.153 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 101 | KeyOrganics |
| MP | 101° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | 97% | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.