| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 30th, 2008 | 27 | No |
Popular Name: 3-{[(4-chlorophenyl)sulfonyl]methyl}-N-[(methoxyamino)methylene]-4-nitrobenzenecarboxamide 3-{[(4-chlorophenyl)sulfonyl]met…
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CAS Number: 478262-05-4
| 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) | 1.97 | 6.65 | -16.01 | 1 | 9 | 0 | 131 | 411.823 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.04 | 5.79 | -43.27 | 0 | 9 | -1 | 137 | 410.815 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 1.97 | 7.6 | -53.17 | 2 | 9 | 1 | 132 | 412.831 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 192 - 195 | KeyOrganics |
