| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 18 | No |
Popular Name: 4-Isothiocyanato-3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazole 4-Isothiocyanato-3,5-dimethyl-1-…
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CAS Number: 1004193-68-3
| 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) | 4.12 | 1.3 | -7.04 | 0 | 3 | 0 | 30 | 257.362 | 3 | ↓ |
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