| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 22 | No |
Popular Name: 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarbonitrile 3-{[(4-chlorophenyl)sulfonyl]met…
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CAS Number: 339101-92-7
| 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) | 2.72 | -0.14 | -14.29 | 0 | 6 | 0 | 103 | 336.756 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 169 - 171 | KeyOrganics |
