| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 21 | Yes |
Popular Name: 3-[(4-chlorobenzyl)sulfanyl]-5-[2-(dimethylamino)vinyl]-4-isothiazolecarbonitrile 3-[(4-chlorobenzyl)sulfanyl]-5-[…
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CAS Number: 338778-57-7
| 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) | 4.21 | 10.05 | -9.08 | 0 | 3 | 0 | 40 | 335.885 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.21 | 10.46 | -7.84 | 0 | 3 | 0 | 40 | 335.885 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 114 - 116 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
