| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2012 | 12 | Yes |
Popular Name: 3-Chloro-1H-indole-2-carbonitrile 3-Chloro-1H-indole-2-carbonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 74960-46-6 , [74960-46-6]
| 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) | 2.76 | 5.33 | -5.06 | 1 | 2 | 0 | 40 | 176.606 | 0 | ↓ |
| Mid Mid (pH 6-8) | 2.76 | 4.89 | -29.28 | 0 | 2 | -1 | 38 | 175.598 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 154 - 156 | KeyOrganics |
| MP | 154-156° | Matrix Scientific |
| Purity | 97% | Matrix Scientific |
| Purity | >97% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.