In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2004 | 16 | Yes |
Popular Name: HYDROCOTARNINE HYDROBROMIDE HYDROCOTARNINE HYDROBROMIDE
4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinoline
4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
5985-00-2; Hydrocotarnine hydrobromide; Prestwick_267
D02031; Hydrocotarnine hydrochloride hydrate (JP16)
HYDROCOTARNINE HYDROBROMDIE; [5985-00-2]
Hydrocotarnine Hydrobromide [5985-00-2]
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) | 1.59 | 4.83 | -43.26 | 1 | 4 | 1 | 32 | 222.264 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.59 | 2.42 | -6.85 | 0 | 4 | 0 | 31 | 221.256 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |