| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 18 | Yes |
Popular Name: 2-[3,4-dihydro-2(1h)-isoquinolinyl]-5-fluoroaniline 2-[3,4-dihydro-2(1h)-isoquinolin…
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CAS Numbers: 937597-72-3 , N/A , [937597-72-3]
| 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) | 3.01 | 6.28 | -5.33 | 2 | 2 | 0 | 29 | 242.297 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.