| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 14th, 2012 | 17 | Yes |
Popular Name: 1-(3-bromophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-one 1-(3-bromophenyl)-4,5,6,7-tetrah…
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CAS Numbers: 1190318-02-5 , 1260832-62-9
| 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) | 2.93 | 7.71 | -12.81 | 0 | 3 | 0 | 35 | 291.148 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 115-118° | Matrix Scientific |
| Purity | 97% | Matrix Scientific |
| Purity | >97% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.