In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2004 | 14 | No |
Popular Name: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-[[(5-methyl-2-thienyl)methylene]amino]- (9CI) 3H-1,2,4-Triazole-3-thione, 2,4-…
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CAS Number: 828275-06-5
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) | 1.73 | 6.89 | -50.13 | 0 | 4 | -1 | 43 | 223.306 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.00 | 6.71 | -16.52 | 1 | 4 | 0 | 46 | 224.314 | 2 | ↓ |