| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 13 | Yes |
Popular Name: Isoquinoline-5-carboxylic acid Isoquinoline-5-carboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 27810-64-6 , [27810-64-6]
| 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) | 1.57 | 4.44 | -53.69 | 0 | 3 | -1 | 53 | 172.163 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 275 - 277 | Enamine Building Blocks |
| MP | 275-280° | Oakwood Chemical |
| MP | 275...277 | Enamine Building Blocks |
| Melting_Point | 278-281? | Alfa-Aesar |
| Melting_Point | 278-281° | Alfa-Aesar |
| Boiling_Point | 60-62?/11mm | Alfa-Aesar |
| Boiling_Point | 60-62°/11mm | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.