In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 17 | No |
Popular Name: 3-(tert-butyl)-1-methyl-4-(2-thienylmethylene)-2-pyrazolin-5-one 3-(tert-butyl)-1-methyl-4-(2-thi…
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CAS Number: 1025206-08-9
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) | 3.20 | 6.52 | -9.55 | 0 | 3 | 0 | 35 | 248.351 | 2 | ↓ |