| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 18 | No |
Popular Name: 1-(4-Bromo-benzyl)-4-isothiocyanato-3,5-dimethyl-1H-pyrazole 1-(4-Bromo-benzyl)-4-isothiocyan…
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CAS Number: 1004193-41-2
| 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) | 4.53 | 0.23 | -7.7 | 0 | 3 | 0 | 30 | 322.231 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.