| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 16 | No |
Popular Name: 1,1-Dioxo-4-[(pyridin-3-ylmethyl)-amino]-tetrahydrothiophen-3-ol 1,1-Dioxo-4-[(pyridin-3-ylmethyl…
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CAS Numbers: 453577-52-1 , N/A
1,1-Dioxo-4-[(pyridin-3-ylmethyl)-amino]-
1,1-Dioxo-4-[(pyridin-3-ylmethyl)-amino]-tetrahydro-1lambda*6*-thiophen-3-ol
4-[(pyridin-3-ylmethyl)amino]tetrahydrothiophene-3-ol 1,1-dioxide
DIOXOPYRIDINYLMETHYLAMINOTETRAHYDROLAMBDA*THIOPHENO
| 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) | -1.14 | -1.41 | -59.1 | 3 | 5 | 1 | 84 | 243.308 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.14 | -0.87 | -37.89 | 2 | 5 | 0 | 87 | 242.3 | 3 | ↓ |
| Hi High (pH 8-9.5) | -1.14 | -2.63 | -14.63 | 2 | 5 | 0 | 79 | 242.3 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
