| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 18 | No |
Popular Name: 2-(1,3-benzoxazol-2-ylthio)cyclohex-1-ene-1-carbaldehyde 2-(1,3-benzoxazol-2-ylthio)cyclo…
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CAS Number: 885457-15-8
| 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) | 3.87 | -0.53 | -8.22 | 0 | 3 | 0 | 43 | 259.33 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| MP | 93 - 95 | Enamine Building Blocks |
| MP | 93...95 | Enamine Building Blocks |
| purity | 95 | Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.