In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 5th, 2010 | 13 | Yes |
Popular Name: Isoquinoline, 7-ethoxy- (9CI) Isoquinoline, 7-ethoxy- (9CI)
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CAS Number: 138223-15-1
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) | 2.46 | 5.22 | -5.96 | 0 | 2 | 0 | 22 | 173.215 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.46 | 5.69 | -32.24 | 1 | 2 | 1 | 23 | 174.223 | 2 | ↓ |