| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2009 | 15 | No |
Popular Name: 4-Bromomethyl-6,7-dimethoxycoumarin, 95% 4-Bromomethyl-6,7-dimethoxycouma…
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CAS Number: 88404-25-5
| 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) | 1.66 | 2.3 | -13.86 | 2 | 4 | 0 | 71 | 271.066 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.66 | 3.21 | -42.77 | 1 | 4 | -1 | 73 | 270.058 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 200-203? | Alfa-Aesar |
| Melting_Point | 200-203° | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.