| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 15 | No |
Popular Name: N-[2-(4-chlorophenyl)ethyl]thiolan-3-amine N-[2-(4-chlorophenyl)ethyl]thiol…
Find On: PubMed — Wikipedia — Google
CAS Number: 1038257-46-3
| 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) | 3.22 | 8.12 | -52.55 | 2 | 1 | 1 | 17 | 242.795 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 6.84 | -4.34 | 1 | 1 | 0 | 12 | 241.787 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.
