In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2004 | 15 | No |
Popular Name: Thiobutabarbital sodium salt Thiobutabarbital sodium salt
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CAS Number: 947-08-0
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) | 1.88 | 1.19 | -33.95 | 1 | 4 | -1 | 65 | 227.309 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.88 | 2.04 | -33.48 | 1 | 4 | -1 | 65 | 227.309 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.03 | 3.12 | -5.66 | 2 | 4 | 0 | 58 | 228.317 | 3 | ↓ |